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

C11H19N5O2 — CID 10400015

IUPAC9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
SMILESCOCCN1C=NC2=C(C(N)=O)NC(C)(C)NC21
InChIInChI=1S/C11H19N5O2/c1-11(2)14-7(9(12)17)8-10(15-11)16(6-13-8)4-5-18-3/h6,10,14-15H,4-5H2,1-3H3,(H2,12,17)
InChIKeyMOUXVPFQAVLJAX-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.07
Rot. Bonds4

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

9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide (PubChem CID 10400015) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
PubChem CID10400015
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
SMILESCOCCN1C=NC2=C(C(N)=O)NC(C)(C)NC21
InChIInChI=1S/C11H19N5O2/c1-11(2)14-7(9(12)17)8-10(15-11)16(6-13-8)4-5-18-3/h6,10,14-15H,4-5H2,1-3H3,(H2,12,17)
InChIKeyMOUXVPFQAVLJAX-UHFFFAOYSA-N
XLogP-1.07
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(6-hydroxypyrimidin-4-yl)methyl]-N-(2-methoxyethyl)-N-propylurea
CID 137028656
Methyl 2-(7-methyl-6-oxo-8,9-dihydropurin-1-yl)ethanimidate
CID 134555119
2-amino-9-(2-aminoethoxymethyl)-7,8-dihydro-1H-purin-6-one
CID 136397703
5-(1,3-dimethoxypropan-2-ylamino)-4-methyl-1H-pyrimidin-6-one
CID 140038029
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-(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-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
2-(dimethylamino)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095789
2-(diethylamino)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095914
9-(1-Methoxyethyl)-7-methyl-3,7,8,9-tetrahydro-6H-purin-6-one
CID 136229502

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The IUPAC name of 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide (CID 10400015) is 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide.
What is the SMILES notation for 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The canonical SMILES for 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide is COCCN1C=NC2=C(C(N)=O)NC(C)(C)NC21.
What is the InChIKey of 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
The InChIKey is MOUXVPFQAVLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2)14-7(9(12)17)8-10(15-11)16(6-13-8)4-5-18-3/h6,10,14-15H,4-5H2,1-3H3,(H2,12,17).
What are the key properties of 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide?
9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide is sourced from PubChem (CID 10400015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).