N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine

C19H13ClFN5O — CID 19709420

IUPACN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1
InChIInChI=1S/C19H13ClFN5O/c1-27-13-5-2-11(3-6-13)18-22-9-16-17(26-18)19(24-10-23-16)25-12-4-7-15(21)14(20)8-12/h2-10H,1H3,(H,23,24,25)
InChIKeyWOLWXHRLILBKLD-UHFFFAOYSA-N
MW381.80 g/mol
LogP4.63
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 19709420) has the molecular formula C19H13ClFN5O and a molecular weight of 381.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine
PubChem CID19709420
Molecular FormulaC19H13ClFN5O
Molecular Weight381.80 g/mol
Exact Mass381.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1
InChIInChI=1S/C19H13ClFN5O/c1-27-13-5-2-11(3-6-13)18-22-9-16-17(26-18)19(24-10-23-16)25-12-4-7-15(21)14(20)8-12/h2-10H,1H3,(H,23,24,25)
InChIKeyWOLWXHRLILBKLD-UHFFFAOYSA-N
XLogP4.63
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine (CID 19709420) is N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine is COc1ccc(-c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is WOLWXHRLILBKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O/c1-27-13-5-2-11(3-6-13)18-22-9-16-17(26-18)19(24-10-23-16)25-12-4-7-15(21)14(20)8-12/h2-10H,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 381.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 19709420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).