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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine
CID 43427054
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
N-[1-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80907705
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80907426
N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 113408057
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248

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).