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

C11H19N5 — CID 80832213

IUPAC4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN1CCCC(N(C)c2ccnc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-15-7-3-4-9(8-15)16(2)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyPSAAZLKVSCDKIZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.59
Rot. Bonds2

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

4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 80832213) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID80832213
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN1CCCC(N(C)c2ccnc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-15-7-3-4-9(8-15)16(2)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyPSAAZLKVSCDKIZ-UHFFFAOYSA-N
XLogP0.59
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832495
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138
2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 130598318
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-propoxypyridine-2,5-diamine
CID 62547989
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62545515
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
CID 113367781
N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 71908084
8-N-methyl-8-N-(1-methylpiperidin-3-yl)isoquinoline-5,8-diamine
CID 103138139
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 55084380

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 80832213) is 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is CN1CCCC(N(C)c2ccnc(N)n2)C1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is PSAAZLKVSCDKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-7-3-4-9(8-15)16(2)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80832213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).