6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C13H15ClN4 — CID 55229872

IUPAC6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccccn1
InChIInChI=1S/C13H15ClN4/c1-3-11-12(14)16-9-17-13(11)18(2)8-10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCJBLRPZQYRNVRD-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.72
Rot. Bonds4

About 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 55229872) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID55229872
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccccn1
InChIInChI=1S/C13H15ClN4/c1-3-11-12(14)16-9-17-13(11)18(2)8-10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCJBLRPZQYRNVRD-UHFFFAOYSA-N
XLogP2.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106
7-chloro-N-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 86839611
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66340183

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 55229872) is 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)Cc1ccccn1.
What is the InChIKey of 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is CJBLRPZQYRNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-3-11-12(14)16-9-17-13(11)18(2)8-10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 55229872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).