4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine

C10H10ClN3O — CID 86066724

IUPAC4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C10H10ClN3O/c1-6-3-4-8(15-6)7-5-9(11)14-10(12-2)13-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyUWQBLYIEUHBNJQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine

4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 86066724) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID86066724
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C10H10ClN3O/c1-6-3-4-8(15-6)7-5-9(11)14-10(12-2)13-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyUWQBLYIEUHBNJQ-UHFFFAOYSA-N
XLogP2.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 86066724) is 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine is CNc1nc(Cl)cc(-c2ccc(C)o2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is UWQBLYIEUHBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-3-4-8(15-6)7-5-9(11)14-10(12-2)13-7/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 223.66 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 86066724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).