2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide

C13H23N5O2 — CID 10039374

IUPAC2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide
SMILESCCC1(CC)NC(C(N)=O)=C2N=CN(CCCO)C2N1
InChIInChI=1S/C13H23N5O2/c1-3-13(4-2)16-9(11(14)20)10-12(17-13)18(8-15-10)6-5-7-19/h8,12,16-17,19H,3-7H2,1-2H3,(H2,14,20)
InChIKeyOIHWRTHDLPOLCB-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.56
Rot. Bonds6

About 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide

2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide (PubChem CID 10039374) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide.

Molecular Properties

Compound Name2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide
PubChem CID10039374
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide
SMILESCCC1(CC)NC(C(N)=O)=C2N=CN(CCCO)C2N1
InChIInChI=1S/C13H23N5O2/c1-3-13(4-2)16-9(11(14)20)10-12(17-13)18(8-15-10)6-5-7-19/h8,12,16-17,19H,3-7H2,1-2H3,(H2,14,20)
InChIKeyOIHWRTHDLPOLCB-UHFFFAOYSA-N
XLogP-0.56
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136334490
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
2-amino-9-(4-hydroxybutyl)-8-methyl-7,8-dihydro-1H-purin-6-one
CID 136426073
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
CID 143725444
2,2-diethyl-9-(2-hydroxyethyl)-3,4-dihydro-1H-purine-6-carboxamide
CID 10015820
9-(5-hydroxypentyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10265737
9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10400015
9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10444259
9-(3-hydroxypropyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10444979
5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136979571
5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136979827
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 143725445

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide?
The IUPAC name of 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide (CID 10039374) is 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide.
What is the SMILES notation for 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide?
The canonical SMILES for 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide is CCC1(CC)NC(C(N)=O)=C2N=CN(CCCO)C2N1.
What is the InChIKey of 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide?
The InChIKey is OIHWRTHDLPOLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-13(4-2)16-9(11(14)20)10-12(17-13)18(8-15-10)6-5-7-19/h8,12,16-17,19H,3-7H2,1-2H3,(H2,14,20).
What are the key properties of 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide?
2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide is sourced from PubChem (CID 10039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).