9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide

C10H17N5O2 — CID 10444259

IUPAC9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
SMILESCC1(C)NC(C(N)=O)=C2N=CN(CCO)C2N1
InChIInChI=1S/C10H17N5O2/c1-10(2)13-6(8(11)17)7-9(14-10)15(3-4-16)5-12-7/h5,9,13-14,16H,3-4H2,1-2H3,(H2,11,17)
InChIKeyLBKBRUKBDKYMFK-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.73
Rot. Bonds3

About 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide

9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide (PubChem CID 10444259) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
PubChem CID10444259
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
SMILESCC1(C)NC(C(N)=O)=C2N=CN(CCO)C2N1
InChIInChI=1S/C10H17N5O2/c1-10(2)13-6(8(11)17)7-9(14-10)15(3-4-16)5-12-7/h5,9,13-14,16H,3-4H2,1-2H3,(H2,11,17)
InChIKeyLBKBRUKBDKYMFK-UHFFFAOYSA-N
XLogP-1.73
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-(4-hydroxybutyl)-8-methyl-7,8-dihydro-1H-purin-6-one
CID 136426073
5-amino-2-(dimethylamino)-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136453504
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(2-hydroxyethyl)propanamide
CID 136477518
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(2-hydroxyethylamino)ethyl]propanamide
CID 136477555
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
2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide
CID 10039374
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-(3-hydroxypropyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10444979
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The IUPAC name of 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide (CID 10444259) is 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide.
What is the SMILES notation for 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The canonical SMILES for 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide is CC1(C)NC(C(N)=O)=C2N=CN(CCO)C2N1.
What is the InChIKey of 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The InChIKey is LBKBRUKBDKYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2)13-6(8(11)17)7-9(14-10)15(3-4-16)5-12-7/h5,9,13-14,16H,3-4H2,1-2H3,(H2,11,17).
What are the key properties of 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide is sourced from PubChem (CID 10444259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).