8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C21H31N5O — CID 67950680

IUPAC8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CC2CN(c3nc(N)nc4c5c(oc34)CCC(C(C)(C)C)C5)CC2C1
InChIInChI=1S/C21H31N5O/c1-21(2,3)14-5-6-16-15(7-14)17-18(27-16)19(24-20(22)23-17)26-10-12-8-25(4)9-13(12)11-26/h12-14H,5-11H2,1-4H3,(H2,22,23,24)
InChIKeyCQMVUQDQBNHRCS-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.95
Rot. Bonds1

About 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 67950680) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID67950680
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CC2CN(c3nc(N)nc4c5c(oc34)CCC(C(C)(C)C)C5)CC2C1
InChIInChI=1S/C21H31N5O/c1-21(2,3)14-5-6-16-15(7-14)17-18(27-16)19(24-20(22)23-17)26-10-12-8-25(4)9-13(12)11-26/h12-14H,5-11H2,1-4H3,(H2,22,23,24)
InChIKeyCQMVUQDQBNHRCS-UHFFFAOYSA-N
XLogP2.95
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25225472
8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25195513
6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
CID 67157420
5-cyclopropyl-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-2,4-diamine
CID 67156514
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 126662892
4-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 66562894
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 42603142
8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922662
[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 96685182
(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 95004178
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 67950680) is 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN1CC2CN(c3nc(N)nc4c5c(oc34)CCC(C(C)(C)C)C5)CC2C1.
What is the InChIKey of 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is CQMVUQDQBNHRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-21(2,3)14-5-6-16-15(7-14)17-18(27-16)19(24-20(22)23-17)26-10-12-8-25(4)9-13(12)11-26/h12-14H,5-11H2,1-4H3,(H2,22,23,24).
What are the key properties of 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 369.51 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 67950680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).