2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine

C11H17N5O2 — CID 114102495

IUPAC2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine
SMILESCNc1nc(C)c([N+](=O)[O-])c(NCC2(C)CC2)n1
InChIInChI=1S/C11H17N5O2/c1-7-8(16(17)18)9(15-10(12-3)14-7)13-6-11(2)4-5-11/h4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXKVVMHMWOWNRKI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.95
Rot. Bonds5

About 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine (PubChem CID 114102495) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine
PubChem CID114102495
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine
SMILESCNc1nc(C)c([N+](=O)[O-])c(NCC2(C)CC2)n1
InChIInChI=1S/C11H17N5O2/c1-7-8(16(17)18)9(15-10(12-3)14-7)13-6-11(2)4-5-11/h4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXKVVMHMWOWNRKI-UHFFFAOYSA-N
XLogP1.95
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)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

N-ethyl-2-[[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343428
2-N,6-dimethyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 106424456
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
2-methyl-1-[[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-ol
CID 106248958
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
3-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198575
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107165493
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine (CID 114102495) is 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine is CNc1nc(C)c([N+](=O)[O-])c(NCC2(C)CC2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine?
The InChIKey is XKVVMHMWOWNRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-8(16(17)18)9(15-10(12-3)14-7)13-6-11(2)4-5-11/h4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine has a molecular weight of 251.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[(1-methylcyclopropyl)methyl]-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 114102495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).