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

C11H13ClN4O — CID 106375469

IUPAC6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H13ClN4O/c1-6-4-13-9(17-6)5-14-11-7(2)10(12)15-8(3)16-11/h4H,5H2,1-3H3,(H,14,15,16)
InChIKeyJPHQUNNKQMAWML-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.66
Rot. Bonds3

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

6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106375469) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106375469
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H13ClN4O/c1-6-4-13-9(17-6)5-14-11-7(2)10(12)15-8(3)16-11/h4H,5H2,1-3H3,(H,14,15,16)
InChIKeyJPHQUNNKQMAWML-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 106375447
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
2-ethyl-6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378623
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 167970186
6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106378740
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378679
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106375469) is 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCc2ncc(C)o2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is JPHQUNNKQMAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-4-13-9(17-6)5-14-11-7(2)10(12)15-8(3)16-11/h4H,5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106375469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).