N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C19H19N5O — CID 112864949

IUPACN-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3ccc(C)cc3)ncn2)c1
InChIInChI=1S/C19H19N5O/c1-13-6-8-15(9-7-13)23-18-11-19(21-12-20-18)24-17-5-3-4-16(10-17)22-14(2)25/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyUEWWVQQCDHAUOK-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.23
Rot. Bonds5

About N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112864949) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112864949
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3ccc(C)cc3)ncn2)c1
InChIInChI=1S/C19H19N5O/c1-13-6-8-15(9-7-13)23-18-11-19(21-12-20-18)24-17-5-3-4-16(10-17)22-14(2)25/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyUEWWVQQCDHAUOK-UHFFFAOYSA-N
XLogP4.23
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
methyl 3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866713
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112864949) is N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(Nc3ccc(C)cc3)ncn2)c1.
What is the InChIKey of N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is UEWWVQQCDHAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-8-15(9-7-13)23-18-11-19(21-12-20-18)24-17-5-3-4-16(10-17)22-14(2)25/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 333.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112864949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).