2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C14H18N4O2 — CID 171385438

IUPAC2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(C1CC1)nc2N1CC[C@H](O)C1
InChIInChI=1S/C14H18N4O2/c19-9-4-6-18(7-9)13-10-3-5-15-14(20)11(10)16-12(17-13)8-1-2-8/h8-9,19H,1-7H2,(H,15,20)/t9-/m0/s1
InChIKeyMPWVGAAOYKRTCL-VIFPVBQESA-N
MW274.32 g/mol
LogP0.21
Rot. Bonds2

About 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171385438) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171385438
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(C1CC1)nc2N1CC[C@H](O)C1
InChIInChI=1S/C14H18N4O2/c19-9-4-6-18(7-9)13-10-3-5-15-14(20)11(10)16-12(17-13)8-1-2-8/h8-9,19H,1-7H2,(H,15,20)/t9-/m0/s1
InChIKeyMPWVGAAOYKRTCL-VIFPVBQESA-N
XLogP0.21
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187
2-cyclopropyl-4-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387272
4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171910206
2-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386634
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387414
2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385853
2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387337
2-cyclopropyl-4-[[(1R,3S)-3-hydroxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387968
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389765
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456413
2-(1,3-benzodioxol-5-ylmethyl)-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386161

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171385438) is 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c1nc(C1CC1)nc2N1CC[C@H](O)C1.
What is the InChIKey of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is MPWVGAAOYKRTCL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O2/c19-9-4-6-18(7-9)13-10-3-5-15-14(20)11(10)16-12(17-13)8-1-2-8/h8-9,19H,1-7H2,(H,15,20)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 274.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).