N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C15H19N5O — CID 112854630

IUPACN-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC(C)C)ncn2)c1
InChIInChI=1S/C15H19N5O/c1-10(2)18-14-8-15(17-9-16-14)20-13-6-4-5-12(7-13)19-11(3)21/h4-10H,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyVROQGEPRVGNWDP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.00
Rot. Bonds5

About N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112854630) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112854630
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC(C)C)ncn2)c1
InChIInChI=1S/C15H19N5O/c1-10(2)18-14-8-15(17-9-16-14)20-13-6-4-5-12(7-13)19-11(3)21/h4-10H,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyVROQGEPRVGNWDP-UHFFFAOYSA-N
XLogP3.00
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.00
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-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
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-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112854630) is N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(NC(C)C)ncn2)c1.
What is the InChIKey of N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is VROQGEPRVGNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)18-14-8-15(17-9-16-14)20-13-6-4-5-12(7-13)19-11(3)21/h4-10H,1-3H3,(H,19,21)(H2,16,17,18,20).
What are the key properties of N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112854630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).