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

C10H11ClN4O — CID 79238103

IUPAC6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(C)c1CNc1cc(Cl)ncn1
InChIInChI=1S/C10H11ClN4O/c1-6-8(7(2)16-15-6)4-12-10-3-9(11)13-5-14-10/h3,5H,4H2,1-2H3,(H,12,13,14)
InChIKeyGPVGTVPGCYQRPE-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.35
Rot. Bonds3

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

6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 79238103) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID79238103
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(C)c1CNc1cc(Cl)ncn1
InChIInChI=1S/C10H11ClN4O/c1-6-8(7(2)16-15-6)4-12-10-3-9(11)13-5-14-10/h3,5H,4H2,1-2H3,(H,12,13,14)
InChIKeyGPVGTVPGCYQRPE-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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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoropyrimidin-4-amine
CID 115417159
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 79242317
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 78974618
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 133464513
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 79238315
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178029
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736
4-[[(6-chloropyrimidin-4-yl)amino]methyl]-2,6-dimethylphenol
CID 171090096
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 79241724

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine (CID 79238103) is 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine is Cc1noc(C)c1CNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is GPVGTVPGCYQRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-8(7(2)16-15-6)4-12-10-3-9(11)13-5-14-10/h3,5H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine?
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-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-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79238103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).