4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H25N5 — CID 129418440

IUPAC4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncnc(N3C[C@H]4CCN(c5ccccc5)[C@H]4C3)c2C1
InChIInChI=1S/C20H25N5/c1-23-9-8-18-17(12-23)20(22-14-21-18)24-11-15-7-10-25(19(15)13-24)16-5-3-2-4-6-16/h2-6,14-15,19H,7-13H2,1H3/t15-,19+/m1/s1
InChIKeyPPTCQHCBNJUHBN-BEFAXECRSA-N
MW335.45 g/mol
LogP2.18
Rot. Bonds2

About 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129418440) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID129418440
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncnc(N3C[C@H]4CCN(c5ccccc5)[C@H]4C3)c2C1
InChIInChI=1S/C20H25N5/c1-23-9-8-18-17(12-23)20(22-14-21-18)24-11-15-7-10-25(19(15)13-24)16-5-3-2-4-6-16/h2-6,14-15,19H,7-13H2,1H3/t15-,19+/m1/s1
InChIKeyPPTCQHCBNJUHBN-BEFAXECRSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418475
(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95138636
6-methyl-4-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 95145907
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129427639
[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 95138634
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185306
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743784
2-methyl-5-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 146077498
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
6-methyl-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 127418120
3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945001

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129418440) is 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2ncnc(N3C[C@H]4CCN(c5ccccc5)[C@H]4C3)c2C1.
What is the InChIKey of 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PPTCQHCBNJUHBN-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25N5/c1-23-9-8-18-17(12-23)20(22-14-21-18)24-11-15-7-10-25(19(15)13-24)16-5-3-2-4-6-16/h2-6,14-15,19H,7-13H2,1H3/t15-,19+/m1/s1.
What are the key properties of 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 335.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,6aR)-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129418440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).