N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide

C17H21FN4O — CID 147549807

IUPACN-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
SMILESCC(=O)NC[C@H](C)CNc1cc(-c2ccc(C)c(F)c2)ncn1
InChIInChI=1S/C17H21FN4O/c1-11(8-19-13(3)23)9-20-17-7-16(21-10-22-17)14-5-4-12(2)15(18)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-/m0/s1
InChIKeyFQOAEBXYHYQNAK-NSHDSACASA-N
MW316.38 g/mol
LogP2.78
Rot. Bonds6

About N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide

N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide (PubChem CID 147549807) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
PubChem CID147549807
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
SMILESCC(=O)NC[C@H](C)CNc1cc(-c2ccc(C)c(F)c2)ncn1
InChIInChI=1S/C17H21FN4O/c1-11(8-19-13(3)23)9-20-17-7-16(21-10-22-17)14-5-4-12(2)15(18)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-/m0/s1
InChIKeyFQOAEBXYHYQNAK-NSHDSACASA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
CID 139557289
N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide
CID 160567030
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol
CID 75603265
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
[(1R)-2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethyl] 2,2,2-trifluoroacetate
CID 68989169
N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 73213576
(1R)-N'-[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 67967770
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 68993273
3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide?
The IUPAC name of N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide (CID 147549807) is N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide.
What is the SMILES notation for N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide?
The canonical SMILES for N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide is CC(=O)NC[C@H](C)CNc1cc(-c2ccc(C)c(F)c2)ncn1.
What is the InChIKey of N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide?
The InChIKey is FQOAEBXYHYQNAK-NSHDSACASA-N. The full InChI is InChI=1S/C17H21FN4O/c1-11(8-19-13(3)23)9-20-17-7-16(21-10-22-17)14-5-4-12(2)15(18)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21,22)/t11-/m0/s1.
What are the key properties of N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide?
N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide is sourced from PubChem (CID 147549807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).