6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine

C14H17ClN4O — CID 79556339

IUPAC6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyFSRGASFTPDBVCH-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.02
Rot. Bonds5

About 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine

6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 79556339) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID79556339
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyFSRGASFTPDBVCH-UHFFFAOYSA-N
XLogP3.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
CID 133351114
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076603
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine (CID 79556339) is 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCc2ccnc(OC)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is FSRGASFTPDBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-11-18-13(15)9(2)14(19-11)17-8-10-5-6-16-12(7-10)20-3/h5-7H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79556339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).