6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

C14H23ClN4 — CID 80970385

IUPAC6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19(4)11-6-8-18(3)9-7-11/h11H,5-9H2,1-4H3
InChIKeyLGPLILUNBNNZKJ-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.53
Rot. Bonds3

About 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 80970385) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID80970385
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19(4)11-6-8-18(3)9-7-11/h11H,5-9H2,1-4H3
InChIKeyLGPLILUNBNNZKJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 80971369
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80972660
6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80970871
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971453
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
6-chloro-N-(2,2-dimethylpropyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971431
6-chloro-2-ethyl-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83023699
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 79555514
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80994438
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112698439
1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80971751
1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978160

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (CID 80970385) is 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)C2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is LGPLILUNBNNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-5-12-16-13(15)10(2)14(17-12)19(4)11-6-8-18(3)9-7-11/h11H,5-9H2,1-4H3.
What are the key properties of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80970385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).