2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C12H17N5O2 — CID 118389307

IUPAC2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESNC(=O)N1Cc2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C12H17N5O2/c13-11(18)17-6-8-4-14-12(16-10(8)7-17)15-5-9-2-1-3-19-9/h4,9H,1-3,5-7H2,(H2,13,18)(H,14,15,16)
InChIKeyDQUBIGOXZDHQTM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.46
Rot. Bonds3

About 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 118389307) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID118389307
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESNC(=O)N1Cc2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C12H17N5O2/c13-11(18)17-6-8-4-14-12(16-10(8)7-17)15-5-9-2-1-3-19-9/h4,9H,1-3,5-7H2,(H2,13,18)(H,14,15,16)
InChIKeyDQUBIGOXZDHQTM-UHFFFAOYSA-N
XLogP0.46
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 95865280
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
4-(4-methoxyphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]pyrimidine-5-carboxylic acid
CID 99738834
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
(7R)-7-(3,5-difluorophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 41001761
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2040784

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 118389307) is 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is NC(=O)N1Cc2cnc(NCC3CCCO3)nc2C1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is DQUBIGOXZDHQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11(18)17-6-8-4-14-12(16-10(8)7-17)15-5-9-2-1-3-19-9/h4,9H,1-3,5-7H2,(H2,13,18)(H,14,15,16).
What are the key properties of 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118389307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).