6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine

C15H13ClN4O2 — CID 171089636

IUPAC6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(OCc3ncco3)cc2)ncn1
InChIInChI=1S/C15H13ClN4O2/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)22-9-15-17-5-6-21-15/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyZSNUOLHAZORQCU-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.31
Rot. Bonds6

About 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine

6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine (PubChem CID 171089636) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
PubChem CID171089636
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(OCc3ncco3)cc2)ncn1
InChIInChI=1S/C15H13ClN4O2/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)22-9-15-17-5-6-21-15/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyZSNUOLHAZORQCU-UHFFFAOYSA-N
XLogP3.31
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171090132
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 171090415
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178029
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
CID 131198007
4-[[(6-chloropyrimidin-4-yl)amino]methyl]-2,6-dimethylphenol
CID 171090096
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
CID 171090359
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine (CID 171089636) is 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine is Clc1cc(NCc2ccc(OCc3ncco3)cc2)ncn1.
What is the InChIKey of 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is ZSNUOLHAZORQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)22-9-15-17-5-6-21-15/h1-7,10H,8-9H2,(H,18,19,20).
What are the key properties of 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 316.75 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 171089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).