N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide

C14H15ClN4O — CID 154801808

IUPACN-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(Nc2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H15ClN4O/c1-3-13(20)19(2)12-6-4-11(5-7-12)18-14-16-8-10(15)9-17-14/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyKXUGWQFWWDWFEV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.25
Rot. Bonds4

About N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide

N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide (PubChem CID 154801808) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide
PubChem CID154801808
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC NameN-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(Nc2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H15ClN4O/c1-3-13(20)19(2)12-6-4-11(5-7-12)18-14-16-8-10(15)9-17-14/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyKXUGWQFWWDWFEV-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide (CID 154801808) is N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(Nc2ncc(Cl)cn2)cc1.
What is the InChIKey of N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide?
The InChIKey is KXUGWQFWWDWFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-3-13(20)19(2)12-6-4-11(5-7-12)18-14-16-8-10(15)9-17-14/h4-9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide?
N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide has a molecular weight of 290.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloropyrimidin-2-yl)amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 154801808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).