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

C13H23N5 — CID 80832495

IUPAC2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-14-13-15-8-7-12(16-13)18(3)11-6-5-9-17(2)10-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15,16)
InChIKeyASDIPCMGMATVDG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds4

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

2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 80832495) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID80832495
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-14-13-15-8-7-12(16-13)18(3)11-6-5-9-17(2)10-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15,16)
InChIKeyASDIPCMGMATVDG-UHFFFAOYSA-N
XLogP1.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832213
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80832211
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80803845
2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 130598318
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-propoxypyridine-2,5-diamine
CID 62547989
4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80820786

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 80832495) is 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is CCNc1nccc(N(C)C2CCCN(C)C2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is ASDIPCMGMATVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-13-15-8-7-12(16-13)18(3)11-6-5-9-17(2)10-11/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15,16).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80832495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).