6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine

C13H23N5 — CID 80832211

IUPAC6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCCN(C)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-14-12-8-13(16-10-15-12)18(3)11-6-5-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyCLZDGYHRXUMNRT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds4

About 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine (PubChem CID 80832211) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
PubChem CID80832211
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCCN(C)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-14-12-8-13(16-10-15-12)18(3)11-6-5-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyCLZDGYHRXUMNRT-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

Analyze 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832495
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80835345
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80957762
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 115142881
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
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-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-propoxypyridine-2,5-diamine
CID 62547989

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine (CID 80832211) is 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C2CCCN(C)C2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine?
The InChIKey is CLZDGYHRXUMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-12-8-13(16-10-15-12)18(3)11-6-5-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-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 6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80832211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).