4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine

C14H20N6O — CID 19144412

IUPAC4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C14H20N6O/c1-10(8-21-2)18-13-12(15)14(17-9-16-13)20-19-11-6-4-3-5-7-11/h3-7,9-10,19H,8,15H2,1-2H3,(H2,16,17,18,20)
InChIKeyJNBWNHZWXPGKDB-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.94
Rot. Bonds7

About 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine

4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19144412) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19144412
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C14H20N6O/c1-10(8-21-2)18-13-12(15)14(17-9-16-13)20-19-11-6-4-3-5-7-11/h3-7,9-10,19H,8,15H2,1-2H3,(H2,16,17,18,20)
InChIKeyJNBWNHZWXPGKDB-UHFFFAOYSA-N
XLogP1.94
TPSA97.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22540147
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
methyl 2-[[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-methylamino]benzoate
CID 19154066
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19136670
6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19154133
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (CID 19144412) is 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is COCC(C)Nc1ncnc(NNc2ccccc2)c1N.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is JNBWNHZWXPGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(8-21-2)18-13-12(15)14(17-9-16-13)20-19-11-6-4-3-5-7-11/h3-7,9-10,19H,8,15H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).