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

C10H11ClN4O — CID 103718672

IUPAC6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C10H11ClN4O/c1-6-4-13-10(16-6)5-12-9-3-8(11)14-7(2)15-9/h3-4H,5H2,1-2H3,(H,12,14,15)
InChIKeyRGKDFTNFCYFSST-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.35
Rot. Bonds3

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

6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 103718672) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID103718672
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C10H11ClN4O/c1-6-4-13-10(16-6)5-12-9-3-8(11)14-7(2)15-9/h3-4H,5H2,1-2H3,(H,12,14,15)
InChIKeyRGKDFTNFCYFSST-UHFFFAOYSA-N
XLogP2.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 103718672) is 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NCc2ncc(C)o2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is RGKDFTNFCYFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-4-13-10(16-6)5-12-9-3-8(11)14-7(2)15-9/h3-4H,5H2,1-2H3,(H,12,14,15).
What are the key properties of 6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 238.68 g/mol, XLogP of 2.35, 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-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103718672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).