5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine

C18H17ClN4O — CID 56976794

IUPAC5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1C=CC(c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C18H17ClN4O/c1-11-14(17(20)23-18(21)22-11)8-9-15(16-3-2-10-24-16)12-4-6-13(19)7-5-12/h2-10,15H,1H3,(H4,20,21,22,23)
InChIKeyGGVWYBFSQQZNJL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.04
Rot. Bonds4

About 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine

5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 56976794) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine
PubChem CID56976794
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1C=CC(c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C18H17ClN4O/c1-11-14(17(20)23-18(21)22-11)8-9-15(16-3-2-10-24-16)12-4-6-13(19)7-5-12/h2-10,15H,1H3,(H4,20,21,22,23)
InChIKeyGGVWYBFSQQZNJL-UHFFFAOYSA-N
XLogP4.04
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine (CID 56976794) is 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1C=CC(c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is GGVWYBFSQQZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-14(17(20)23-18(21)22-11)8-9-15(16-3-2-10-24-16)12-4-6-13(19)7-5-12/h2-10,15H,1H3,(H4,20,21,22,23).
What are the key properties of 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine?
5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 340.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 56976794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).