6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

C14H23ClN4 — CID 79557700

IUPAC6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCN2CCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-3-12-17-13(15)11(2)14(18-12)16-7-10-19-8-5-4-6-9-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyBMFHKQHZSIFGIA-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.90
Rot. Bonds5

About 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 79557700) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
PubChem CID79557700
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCN2CCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-3-12-17-13(15)11(2)14(18-12)16-7-10-19-8-5-4-6-9-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyBMFHKQHZSIFGIA-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
6-chloro-2-ethyl-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83023699
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
1-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80977973
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
CID 115715788
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine (CID 79557700) is 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCN2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is BMFHKQHZSIFGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-12-17-13(15)11(2)14(18-12)16-7-10-19-8-5-4-6-9-19/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79557700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).