2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine

C12H21N5 — CID 80797834

IUPAC2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-9-7-11(16-12(13-2)14-9)15-10-5-4-6-17(3)8-10/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyVCBPJUAFLROASB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds3

About 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 80797834) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID80797834
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-9-7-11(16-12(13-2)14-9)15-10-5-4-6-17(3)8-10/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyVCBPJUAFLROASB-UHFFFAOYSA-N
XLogP1.33
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80772502
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 95891656
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80776311
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812413
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717716

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 80797834) is 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is CNc1nc(C)cc(NC2CCCN(C)C2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is VCBPJUAFLROASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-7-11(16-12(13-2)14-9)15-10-5-4-6-17(3)8-10/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80797834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).