N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide

C16H19ClN4O3S — CID 87625155

IUPACN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN4O3S/c1-20(25(2,22)23)13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3
InChIKeyNAKYBQHBSAHLAE-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.03
Rot. Bonds4

About N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide

N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 87625155) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID87625155
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN4O3S/c1-20(25(2,22)23)13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3
InChIKeyNAKYBQHBSAHLAE-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide (CID 87625155) is N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide is CN(c1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is NAKYBQHBSAHLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-20(25(2,22)23)13-5-3-12(4-6-13)14-11-15(17)19-16(18-14)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide?
N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 87625155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).