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

C17H18ClN5O — CID 171997800

IUPACN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3nc4ccc(Cl)cc4o3)C2)ncn1
InChIInChI=1S/C17H18ClN5O/c1-11-7-16(20-10-19-11)21-13-3-2-6-23(9-13)17-22-14-5-4-12(18)8-15(14)24-17/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20,21)
InChIKeyWFJXUQBXUKWNAP-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.66
Rot. Bonds3

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

N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 171997800) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID171997800
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3nc4ccc(Cl)cc4o3)C2)ncn1
InChIInChI=1S/C17H18ClN5O/c1-11-7-16(20-10-19-11)21-13-3-2-6-23(9-13)17-22-14-5-4-12(18)8-15(14)24-17/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20,21)
InChIKeyWFJXUQBXUKWNAP-UHFFFAOYSA-N
XLogP3.66
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171997841
N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887891
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 155509214
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide
CID 155499677
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 154815842
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 154571479

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine (CID 171997800) is N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCN(c3nc4ccc(Cl)cc4o3)C2)ncn1.
What is the InChIKey of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is WFJXUQBXUKWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-7-16(20-10-19-11)21-13-3-2-6-23(9-13)17-22-14-5-4-12(18)8-15(14)24-17/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 343.82 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 171997800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).