2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine

C13H16ClN3O — CID 175059406

IUPAC2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CNc1nc(Cl)ncc1-c1ccco1
InChIInChI=1S/C13H16ClN3O/c1-13(2,3)8-16-11-9(7-15-12(14)17-11)10-5-4-6-18-10/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyFITYOQFMOBIHAG-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine

2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine (PubChem CID 175059406) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine
PubChem CID175059406
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CNc1nc(Cl)ncc1-c1ccco1
InChIInChI=1S/C13H16ClN3O/c1-13(2,3)8-16-11-9(7-15-12(14)17-11)10-5-4-6-18-10/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyFITYOQFMOBIHAG-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine (CID 175059406) is 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine is CC(C)(C)CNc1nc(Cl)ncc1-c1ccco1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine?
The InChIKey is FITYOQFMOBIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(2,3)8-16-11-9(7-15-12(14)17-11)10-5-4-6-18-10/h4-7H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine?
2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine has a molecular weight of 265.74 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 175059406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).