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

C11H12ClN5O — CID 80953674

IUPAC6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H12ClN5O/c1-6-14-10(18-17-6)5-13-9-4-8(12)15-11(16-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,15,16)
InChIKeySEVOQJYWYVOCAJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.31
Rot. Bonds4

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

6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 80953674) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID80953674
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C11H12ClN5O/c1-6-14-10(18-17-6)5-13-9-4-8(12)15-11(16-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,15,16)
InChIKeySEVOQJYWYVOCAJ-UHFFFAOYSA-N
XLogP2.31
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80963831
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984101
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 103880239
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 80953674) is 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1noc(CNc2cc(Cl)nc(C3CC3)n2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is SEVOQJYWYVOCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6-14-10(18-17-6)5-13-9-4-8(12)15-11(16-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 265.70 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80953674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).