N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine

C13H15ClN4 — CID 103445314

IUPACN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ncccc2Cl)nc1
InChIInChI=1S/C13H15ClN4/c1-9(2)16-6-10-7-17-13(18-8-10)12-11(14)4-3-5-15-12/h3-5,7-9,16H,6H2,1-2H3
InChIKeyFZSCUSLJYCNAEY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.69
Rot. Bonds4

About N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 103445314) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID103445314
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ncccc2Cl)nc1
InChIInChI=1S/C13H15ClN4/c1-9(2)16-6-10-7-17-13(18-8-10)12-11(14)4-3-5-15-12/h3-5,7-9,16H,6H2,1-2H3
InChIKeyFZSCUSLJYCNAEY-UHFFFAOYSA-N
XLogP2.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
CID 103445312
N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 103445354
N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 63839132
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 103445314) is N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2ncccc2Cl)nc1.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is FZSCUSLJYCNAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9(2)16-6-10-7-17-13(18-8-10)12-11(14)4-3-5-15-12/h3-5,7-9,16H,6H2,1-2H3.
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103445314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).