4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine

C15H26N6 — CID 154228565

IUPAC4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine
SMILESCN1CC2CN(C3=CC(N)(CC4CC4)N=C(N)N3)CC2C1
InChIInChI=1S/C15H26N6/c1-20-6-11-8-21(9-12(11)7-20)13-5-15(17,4-10-2-3-10)19-14(16)18-13/h5,10-12H,2-4,6-9,17H2,1H3,(H3,16,18,19)
InChIKeyFUNTYTUYHURNAW-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.31
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine

4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 154228565) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine
PubChem CID154228565
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine
SMILESCN1CC2CN(C3=CC(N)(CC4CC4)N=C(N)N3)CC2C1
InChIInChI=1S/C15H26N6/c1-20-6-11-8-21(9-12(11)7-20)13-5-15(17,4-10-2-3-10)19-14(16)18-13/h5,10-12H,2-4,6-9,17H2,1H3,(H3,16,18,19)
InChIKeyFUNTYTUYHURNAW-UHFFFAOYSA-N
XLogP-0.31
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
4-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492554
4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492542
4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 154337652
4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 154344821
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 154014522
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152545011
4-(1-azabicyclo[2.2.2]octan-3-yl)-6-(1,3-dihydroisoindol-2-yl)-1H-pyrimidine-2,4-diamine
CID 154398350
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine (CID 154228565) is 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine is CN1CC2CN(C3=CC(N)(CC4CC4)N=C(N)N3)CC2C1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is FUNTYTUYHURNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-20-6-11-8-21(9-12(11)7-20)13-5-15(17,4-10-2-3-10)19-14(16)18-13/h5,10-12H,2-4,6-9,17H2,1H3,(H3,16,18,19).
What are the key properties of 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154228565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).