2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine

C12H21N5 — CID 80811984

IUPAC2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCC2CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-13-12-14-6-5-11(16-12)15-8-10-4-3-7-17(2)9-10/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyPVOCATRXDJBDHO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.27
Rot. Bonds4

About 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine

2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80811984) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80811984
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCC2CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-13-12-14-6-5-11(16-12)15-8-10-4-3-7-17(2)9-10/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyPVOCATRXDJBDHO-UHFFFAOYSA-N
XLogP1.27
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903430
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856693
6-N-methyl-8-N-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80811812
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 126687028
1-[(3R)-3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 95120094
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
CID 55133105

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 80811984) is 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine is CNc1nccc(NCC2CCCN(C)C2)n1.
What is the InChIKey of 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PVOCATRXDJBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-13-12-14-6-5-11(16-12)15-8-10-4-3-7-17(2)9-10/h5-6,10H,3-4,7-9H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).