N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine

C13H15ClN4 — CID 154736081

IUPACN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](C)c2ccc(Cl)cn2)nc(C)n1
InChIInChI=1S/C13H15ClN4/c1-8-6-13(18-10(3)16-8)17-9(2)12-5-4-11(14)7-15-12/h4-7,9H,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyCQGSEXIZCSRRGE-VIFPVBQESA-N
MW262.74 g/mol
LogP3.31
Rot. Bonds3

About N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine

N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 154736081) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID154736081
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](C)c2ccc(Cl)cn2)nc(C)n1
InChIInChI=1S/C13H15ClN4/c1-8-6-13(18-10(3)16-8)17-9(2)12-5-4-11(14)7-15-12/h4-7,9H,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyCQGSEXIZCSRRGE-VIFPVBQESA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(5-chloro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 131086161
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 138045425
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-nitropyrimidin-2-amine
CID 99802727
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 154736081) is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(N[C@@H](C)c2ccc(Cl)cn2)nc(C)n1.
What is the InChIKey of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is CQGSEXIZCSRRGE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-6-13(18-10(3)16-8)17-9(2)12-5-4-11(14)7-15-12/h4-7,9H,1-3H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 154736081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).