6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C15H20ClN3O — CID 80953528

IUPAC6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(C(C)Nc2cc(Cl)nc(C(C)C)n2)c(C)o1
InChIInChI=1S/C15H20ClN3O/c1-8(2)15-18-13(16)7-14(19-15)17-10(4)12-6-9(3)20-11(12)5/h6-8,10H,1-5H3,(H,17,18,19)
InChIKeyWYIBGVZHFOUCKG-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.64
Rot. Bonds4

About 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953528) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953528
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(C(C)Nc2cc(Cl)nc(C(C)C)n2)c(C)o1
InChIInChI=1S/C15H20ClN3O/c1-8(2)15-18-13(16)7-14(19-15)17-10(4)12-6-9(3)20-11(12)5/h6-8,10H,1-5H3,(H,17,18,19)
InChIKeyWYIBGVZHFOUCKG-UHFFFAOYSA-N
XLogP4.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
CID 103915139
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80953864
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975120
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62859055
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80953144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 80953528) is 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(C(C)Nc2cc(Cl)nc(C(C)C)n2)c(C)o1.
What is the InChIKey of 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WYIBGVZHFOUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-8(2)15-18-13(16)7-14(19-15)17-10(4)12-6-9(3)20-11(12)5/h6-8,10H,1-5H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 4.64, 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-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).