6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one

C21H26N6O2 — CID 76691463

IUPAC6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one
SMILESCC(C)n1ccc2cc(-c3cnc(N)nc3)nc(NC3CCC(CO)C3)c2c1=O
InChIInChI=1S/C21H26N6O2/c1-12(2)27-6-5-14-8-17(15-9-23-21(22)24-10-15)26-19(18(14)20(27)29)25-16-4-3-13(7-16)11-28/h5-6,8-10,12-13,16,28H,3-4,7,11H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyQCEJPXRDXMIBKC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.59
Rot. Bonds5

About 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one (PubChem CID 76691463) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one
PubChem CID76691463
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one
SMILESCC(C)n1ccc2cc(-c3cnc(N)nc3)nc(NC3CCC(CO)C3)c2c1=O
InChIInChI=1S/C21H26N6O2/c1-12(2)27-6-5-14-8-17(15-9-23-21(22)24-10-15)26-19(18(14)20(27)29)25-16-4-3-13(7-16)11-28/h5-6,8-10,12-13,16,28H,3-4,7,11H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyQCEJPXRDXMIBKC-UHFFFAOYSA-N
XLogP2.59
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one (CID 76691463) is 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one is CC(C)n1ccc2cc(-c3cnc(N)nc3)nc(NC3CCC(CO)C3)c2c1=O.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one?
The InChIKey is QCEJPXRDXMIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-12(2)27-6-5-14-8-17(15-9-23-21(22)24-10-15)26-19(18(14)20(27)29)25-16-4-3-13(7-16)11-28/h5-6,8-10,12-13,16,28H,3-4,7,11H2,1-2H3,(H,25,26)(H2,22,23,24).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one has a molecular weight of 394.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-2,7-naphthyridin-1-one is sourced from PubChem (CID 76691463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).