4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine

C11H20N6O2 — CID 80815798

IUPAC4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CCN(C)C)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-4-5-16(7-6-15(2)3)11-9(17(18)19)10(12)13-8-14-11/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyZUIUWIIWMIUEPN-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.75
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80815798) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
PubChem CID80815798
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CCN(C)C)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-4-5-16(7-6-15(2)3)11-9(17(18)19)10(12)13-8-14-11/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyZUIUWIIWMIUEPN-UHFFFAOYSA-N
XLogP0.75
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-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

4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 51045406
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
2-[(6-amino-5-nitropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808990
4-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-4,6-diamine
CID 2960753
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
1-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826749
4-N-butan-2-yl-4-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80784628
4-N,4-N-dibenzyl-5-nitropyrimidine-4,6-diamine
CID 23488261
4-N-methyl-5-nitro-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791146
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
4-N-(cyclopropylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80797881

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine (CID 80815798) is 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine is CCCN(CCN(C)C)c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZUIUWIIWMIUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-5-16(7-6-15(2)3)11-9(17(18)19)10(12)13-8-14-11/h8H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).