4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine

C9H15N5O3 — CID 114044198

IUPAC4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-5(4-17-3)11-8-7(14(15)16)6(2)12-9(10)13-8/h5H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyHOYKHJXXZYSOLL-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.72
Rot. Bonds5

About 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine

4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine (PubChem CID 114044198) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
PubChem CID114044198
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-5(4-17-3)11-8-7(14(15)16)6(2)12-9(10)13-8/h5H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyHOYKHJXXZYSOLL-UHFFFAOYSA-N
XLogP0.72
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine 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-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452
2-hydrazinyl-N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 114045068
1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257823
N-(1-methoxypropan-2-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66028866
4-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045293
4-N-hexyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044764
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
4-N-(1-methoxypropan-2-yl)-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480956
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
6-methyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106411590
1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296268
5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80785811

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine (CID 114044198) is 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine is COCC(C)Nc1nc(N)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine?
The InChIKey is HOYKHJXXZYSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5(4-17-3)11-8-7(14(15)16)6(2)12-9(10)13-8/h5H,4H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine?
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine has a molecular weight of 241.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 114044198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).