6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine

C18H21ClN6 — CID 11394198

IUPAC6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc2ncc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H21ClN6/c1-3-9-25(10-4-2)17-15-16(23-18(20)24-17)21-11-14(22-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,23,24)
InChIKeyVWQBGABVOKYNIZ-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.95
Rot. Bonds6

About 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine

6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine (PubChem CID 11394198) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine
PubChem CID11394198
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc2ncc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H21ClN6/c1-3-9-25(10-4-2)17-15-16(23-18(20)24-17)21-11-14(22-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,23,24)
InChIKeyVWQBGABVOKYNIZ-UHFFFAOYSA-N
XLogP3.95
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine (CID 11394198) is 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine is CCCN(CCC)c1nc(N)nc2ncc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine?
The InChIKey is VWQBGABVOKYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-3-9-25(10-4-2)17-15-16(23-18(20)24-17)21-11-14(22-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine?
6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine has a molecular weight of 356.86 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine is sourced from PubChem (CID 11394198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).