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

C15H19ClN4O — CID 133419292

IUPAC6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H19ClN4O/c1-9-12(10(2)21-20-9)4-3-7-17-14-8-13(16)18-15(19-14)11-5-6-11/h8,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCDVXLCGGOGANCL-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.66
Rot. Bonds6

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

6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 133419292) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID133419292
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H19ClN4O/c1-9-12(10(2)21-20-9)4-3-7-17-14-8-13(16)18-15(19-14)11-5-6-11/h8,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCDVXLCGGOGANCL-UHFFFAOYSA-N
XLogP3.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70730131
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 86814390
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432124
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine (CID 133419292) is 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine is Cc1noc(C)c1CCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is CDVXLCGGOGANCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-12(10(2)21-20-9)4-3-7-17-14-8-13(16)18-15(19-14)11-5-6-11/h8,11H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133419292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).