4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine

C11H16N8O — CID 175377214

IUPAC4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine
SMILESCN1C(=O)NC=CC1N.CNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5.C5H9N3O/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,7,8,9,10,11);2-4H,6H2,1H3,(H,7,9)
InChIKeyPJDNWEQQHLEIFB-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.17
Rot. Bonds1

About 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine

4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine (PubChem CID 175377214) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine
PubChem CID175377214
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine
SMILESCN1C(=O)NC=CC1N.CNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5.C5H9N3O/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,7,8,9,10,11);2-4H,6H2,1H3,(H,7,9)
InChIKeyPJDNWEQQHLEIFB-UHFFFAOYSA-N
XLogP-0.17
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine with MolForge

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Related Compounds

iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-ethynyl-7H-purin-6-amine
CID 149150295
2,2-dimethyl-3-(7H-purin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64837350
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
(7H-purin-6-ylamino)methanol
CID 86209273

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine?
The IUPAC name of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine (CID 175377214) is 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine.
What is the SMILES notation for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine?
The canonical SMILES for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine is CN1C(=O)NC=CC1N.CNc1ncnc2nc[nH]c12.
What is the InChIKey of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine?
The InChIKey is PJDNWEQQHLEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.C5H9N3O/c1-7-5-4-6(10-2-8-4)11-3-9-5;1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,7,8,9,10,11);2-4H,6H2,1H3,(H,7,9).
What are the key properties of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine?
4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine has a molecular weight of 276.30 g/mol, XLogP of -0.17, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one;N-methyl-7H-purin-6-amine is sourced from PubChem (CID 175377214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).