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

C18H18N6O — CID 112893767

IUPACN-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(NCc3ccncc3)n2)c1
InChIInChI=1S/C18H18N6O/c1-13(25)22-15-3-2-4-16(11-15)23-18-20-10-7-17(24-18)21-12-14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,25)(H2,20,21,23,24)
InChIKeyDXRBIUFVZDGILI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.19
Rot. Bonds6

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

N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112893767) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112893767
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(NCc3ccncc3)n2)c1
InChIInChI=1S/C18H18N6O/c1-13(25)22-15-3-2-4-16(11-15)23-18-20-10-7-17(24-18)21-12-14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,25)(H2,20,21,23,24)
InChIKeyDXRBIUFVZDGILI-UHFFFAOYSA-N
XLogP3.19
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112891467
N-[4-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893768
methyl 3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112893770
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N-[3-[[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112917572
N-[3-[[4-[[(2S)-2-methyl-3-methylidenepent-4-enyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098837
N-[3-[[5-(pyridin-3-ylmethylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112952262
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
methyl 3-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzoate
CID 112892481
N-[3-[[2-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112903173

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112893767) is N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nccc(NCc3ccncc3)n2)c1.
What is the InChIKey of N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is DXRBIUFVZDGILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13(25)22-15-3-2-4-16(11-15)23-18-20-10-7-17(24-18)21-12-14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112893767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).