N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

C17H18FN5O — CID 126887891

IUPACN-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nc4cc(F)ccc4o3)CC2)ncn1
InChIInChI=1S/C17H18FN5O/c1-11-8-16(20-10-19-11)21-13-4-6-23(7-5-13)17-22-14-9-12(18)2-3-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3,(H,19,20,21)
InChIKeyQQTDVHDYFHDZGF-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887891) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887891
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nc4cc(F)ccc4o3)CC2)ncn1
InChIInChI=1S/C17H18FN5O/c1-11-8-16(20-10-19-11)21-13-4-6-23(7-5-13)17-22-14-9-12(18)2-3-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3,(H,19,20,21)
InChIKeyQQTDVHDYFHDZGF-UHFFFAOYSA-N
XLogP3.15
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997800
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 133487290
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887891) is N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3nc4cc(F)ccc4o3)CC2)ncn1.
What is the InChIKey of N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is QQTDVHDYFHDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-8-16(20-10-19-11)21-13-4-6-23(7-5-13)17-22-14-9-12(18)2-3-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).