N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C19H20N6O — CID 112919668

IUPACN-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C19H20N6O/c1-13-10-18(24-17-7-5-16(6-8-17)23-14(2)26)25-19(22-13)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyCUQLAYPCFMMLJS-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.49
Rot. Bonds6

About N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112919668) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112919668
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C19H20N6O/c1-13-10-18(24-17-7-5-16(6-8-17)23-14(2)26)25-19(22-13)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyCUQLAYPCFMMLJS-UHFFFAOYSA-N
XLogP3.49
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576
N-[4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112917711
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
6-methyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919680
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919519
6-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919678
N-(4-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329932
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919628

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112919668) is N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(C)nc(NCc3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is CUQLAYPCFMMLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-10-18(24-17-7-5-16(6-8-17)23-14(2)26)25-19(22-13)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112919668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).