2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

C15H20ClN5O — CID 69182358

IUPAC2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11;/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20);1H
InChIKeyLPZDVXPDTFYYCB-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (PubChem CID 69182358) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
PubChem CID69182358
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11;/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20);1H
InChIKeyLPZDVXPDTFYYCB-UHFFFAOYSA-N
XLogP2.18
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11425051
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 11300081
7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
CID 167438544
(7R)-2-(2-aminopyrimidin-4-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11557793
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 162046550
2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 23582518
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 139592320
(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 69183289
6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 23582383
(6S)-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11564848
7-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217342
ethyl 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxylate
CID 68947362

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (CID 69182358) is 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is CC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.Cl.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The InChIKey is LPZDVXPDTFYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11;/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20);1H.
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 69182358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).