7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C19H21FN6O — CID 3842360

IUPAC7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H21FN6O/c20-14-3-1-12(2-4-14)16-13(5-6-26-7-9-27-10-8-26)11-15-17(21)24-19(22)25-18(15)23-16/h1-4,11H,5-10H2,(H4,21,22,23,24,25)
InChIKeyRPVYHEBHYIFLNM-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.87
Rot. Bonds4

About 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 3842360) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID3842360
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H21FN6O/c20-14-3-1-12(2-4-14)16-13(5-6-26-7-9-27-10-8-26)11-15-17(21)24-19(22)25-18(15)23-16/h1-4,11H,5-10H2,(H4,21,22,23,24,25)
InChIKeyRPVYHEBHYIFLNM-UHFFFAOYSA-N
XLogP1.87
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 3842360) is 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RPVYHEBHYIFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-14-3-1-12(2-4-14)16-13(5-6-26-7-9-27-10-8-26)11-15-17(21)24-19(22)25-18(15)23-16/h1-4,11H,5-10H2,(H4,21,22,23,24,25).
What are the key properties of 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 368.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 3842360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).