[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H28N6O2 — CID 70765294

IUPAC[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC1(O)CCNC1)CC2
InChIInChI=1S/C18H28N6O2/c1-19-17-21-14-4-9-23(12-18(26)5-6-20-11-18)10-13(14)15(22-17)16(25)24-7-2-3-8-24/h20,26H,2-12H2,1H3,(H,19,21,22)
InChIKeyYJXKFTOTHWUQLJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.16
Rot. Bonds4

About [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 70765294) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID70765294
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC1(O)CCNC1)CC2
InChIInChI=1S/C18H28N6O2/c1-19-17-21-14-4-9-23(12-18(26)5-6-20-11-18)10-13(14)15(22-17)16(25)24-7-2-3-8-24/h20,26H,2-12H2,1H3,(H,19,21,22)
InChIKeyYJXKFTOTHWUQLJ-UHFFFAOYSA-N
XLogP-0.16
TPSA93.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 70765294) is [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC1(O)CCNC1)CC2.
What is the InChIKey of [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YJXKFTOTHWUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-19-17-21-14-4-9-23(12-18(26)5-6-20-11-18)10-13(14)15(22-17)16(25)24-7-2-3-8-24/h20,26H,2-12H2,1H3,(H,19,21,22).
What are the key properties of [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70765294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).