2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

C14H24N6O2 — CID 3825560

IUPAC2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H24N6O2/c1-4-18(5-2)14-16-12(15)11(20(21)22)13(17-14)19-8-6-10(3)7-9-19/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyADEMIGVWTKHVIU-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.05
Rot. Bonds5

About 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine

2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (PubChem CID 3825560) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
PubChem CID3825560
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H24N6O2/c1-4-18(5-2)14-16-12(15)11(20(21)22)13(17-14)19-8-6-10(3)7-9-19/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyADEMIGVWTKHVIU-UHFFFAOYSA-N
XLogP2.05
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.05
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'}

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Related Compounds

2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 4033138
2-N-[(2R)-butan-2-yl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
CID 40540040
6-(azepan-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 3649607
2-(4-methylpiperazin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 3398602
3-[[4-amino-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium
CID 7523489
6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 2940089
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 40504586
2-N-[3-(diethylamino)propyl]-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine
CID 7530383
2-N-[3-(diethylamino)propyl]-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
CID 3564143
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
2-N-[3-(diethylamino)propyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 3839064

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (CID 3825560) is 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is ADEMIGVWTKHVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-4-18(5-2)14-16-12(15)11(20(21)22)13(17-14)19-8-6-10(3)7-9-19/h10H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 3825560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).