2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

C15H19N5O — CID 115915242

IUPAC2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1cc(NCC(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-2-8-17-13-9-14(18-10-12(16)21)20-15(19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyKEFUTWKVQCNHKB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds7

About 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 115915242) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID115915242
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1cc(NCC(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-2-8-17-13-9-14(18-10-12(16)21)20-15(19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyKEFUTWKVQCNHKB-UHFFFAOYSA-N
XLogP1.86
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
methyl 3-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]benzoate
CID 112879265
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 115915242) is 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1cc(NCC(N)=O)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is KEFUTWKVQCNHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-8-17-13-9-14(18-10-12(16)21)20-15(19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 115915242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).