6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine

C13H16ClN3O — CID 63728421

IUPAC6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC(C)c1ccco1
InChIInChI=1S/C13H16ClN3O/c1-8(2)11-12(14)15-7-16-13(11)17-9(3)10-5-4-6-18-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyCZVUYKINROGXJN-UHFFFAOYSA-N
MW265.74 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63728421) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID63728421
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC(C)c1ccco1
InChIInChI=1S/C13H16ClN3O/c1-8(2)11-12(14)15-7-16-13(11)17-9(3)10-5-4-6-18-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyCZVUYKINROGXJN-UHFFFAOYSA-N
XLogP4.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine (CID 63728421) is 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NC(C)c1ccco1.
What is the InChIKey of 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is CZVUYKINROGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(2)11-12(14)15-7-16-13(11)17-9(3)10-5-4-6-18-10/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.74 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).