N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide

C16H19FN4O — CID 160567030

IUPACN-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1cc(-c2ccc(C)c(F)c2)ncn1
InChIInChI=1S/C16H19FN4O/c1-11-4-5-13(8-14(11)17)15-9-16(21-10-20-15)19-7-3-6-18-12(2)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyRABCBAKRUURPTB-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.53
Rot. Bonds6

About N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide

N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide (PubChem CID 160567030) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide
PubChem CID160567030
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1cc(-c2ccc(C)c(F)c2)ncn1
InChIInChI=1S/C16H19FN4O/c1-11-4-5-13(8-14(11)17)15-9-16(21-10-20-15)19-7-3-6-18-12(2)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyRABCBAKRUURPTB-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
CID 147549807
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
N-[3-[[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
CID 139557289
3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
1-[2-fluoro-4-[6-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethylamino]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxylic acid
CID 156759924
N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981
N-[(3R,4S)-3-fluoro-1-[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 158162102
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
4-[6-[2-(2,6-difluoro-4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-2-methylsulfanylbenzoic acid
CID 135381487
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
2-[4-[6-[2-(6-methyl-1-benzothiophen-5-yl)ethylamino]pyrimidin-4-yl]-2-methylsulfanylphenyl]acetic acid
CID 150261624

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide (CID 160567030) is N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide is CC(=O)NCCCNc1cc(-c2ccc(C)c(F)c2)ncn1.
What is the InChIKey of N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide?
The InChIKey is RABCBAKRUURPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-4-5-13(8-14(11)17)15-9-16(21-10-20-15)19-7-3-6-18-12(2)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide?
N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 160567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).