2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine

C9H15N5O2 — CID 18801447

IUPAC2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCCNc1nc(C)c([N+](=O)[O-])c(NCC)n1
InChIInChI=1S/C9H15N5O2/c1-4-10-8-7(14(15)16)6(3)12-9(13-8)11-5-2/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyOMCFSDHVVLERSO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.56
Rot. Bonds5

About 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine

2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine (PubChem CID 18801447) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
PubChem CID18801447
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
SMILESCCNc1nc(C)c([N+](=O)[O-])c(NCC)n1
InChIInChI=1S/C9H15N5O2/c1-4-10-8-7(14(15)16)6(3)12-9(13-8)11-5-2/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyOMCFSDHVVLERSO-UHFFFAOYSA-N
XLogP1.56
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine (CID 18801447) is 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine is CCNc1nc(C)c([N+](=O)[O-])c(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine?
The InChIKey is OMCFSDHVVLERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4-10-8-7(14(15)16)6(3)12-9(13-8)11-5-2/h4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine?
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine has a molecular weight of 225.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 18801447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).