[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

C18H23N5O2 — CID 126887559

IUPAC[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESCc1cc(NC2CCN(C(=O)c3onc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-12-10-16(20-11-19-12)21-13-6-8-23(9-7-13)18(24)17-14-4-2-3-5-15(14)22-25-17/h10-11,13H,2-9H2,1H3,(H,19,20,21)
InChIKeyWCOLJZRWZHHBOJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.37
Rot. Bonds3

About [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (PubChem CID 126887559) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
PubChem CID126887559
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESCc1cc(NC2CCN(C(=O)c3onc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-12-10-16(20-11-19-12)21-13-6-8-23(9-7-13)18(24)17-14-4-2-3-5-15(14)22-25-17/h10-11,13H,2-9H2,1H3,(H,19,20,21)
InChIKeyWCOLJZRWZHHBOJ-UHFFFAOYSA-N
XLogP2.37
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxymethyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 139027963
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
[(3R)-3-[(6-fluoroquinazolin-4-yl)amino]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 138008127
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887543
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (CID 126887559) is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.
What is the SMILES notation for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The canonical SMILES for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is Cc1cc(NC2CCN(C(=O)c3onc4c3CCCC4)CC2)ncn1.
What is the InChIKey of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The InChIKey is WCOLJZRWZHHBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-10-16(20-11-19-12)21-13-6-8-23(9-7-13)18(24)17-14-4-2-3-5-15(14)22-25-17/h10-11,13H,2-9H2,1H3,(H,19,20,21).
What are the key properties of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is sourced from PubChem (CID 126887559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).