6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine

C11H13ClN4O — CID 103946658

IUPAC6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C11H13ClN4O/c1-6-5-13-11(17-6)7(2)14-10-4-9(12)15-8(3)16-10/h4-5,7H,1-3H3,(H,14,15,16)
InChIKeyXHTNAQUNLQLRSL-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 103946658) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID103946658
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C11H13ClN4O/c1-6-5-13-11(17-6)7(2)14-10-4-9(12)15-8(3)16-10/h4-5,7H,1-3H3,(H,14,15,16)
InChIKeyXHTNAQUNLQLRSL-UHFFFAOYSA-N
XLogP2.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390426
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-chloro-6-(methylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 103948959
6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106390392
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412
2-chloro-6-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389759
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114182292
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676
4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106389489
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine (CID 103946658) is 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NC(C)c2ncc(C)o2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XHTNAQUNLQLRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-5-13-11(17-6)7(2)14-10-4-9(12)15-8(3)16-10/h4-5,7H,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103946658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).