2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C19H20FN5 — CID 44526633

IUPAC2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN5/c1-2-3-17-12-18(22-13-14-8-10-21-11-9-14)25-19(24-17)23-16-6-4-15(20)5-7-16/h4-12H,2-3,13H2,1H3,(H2,22,23,24,25)
InChIKeyWHKCVMGMYPHLBG-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.32
Rot. Bonds7

About 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 44526633) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID44526633
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN5/c1-2-3-17-12-18(22-13-14-8-10-21-11-9-14)25-19(24-17)23-16-6-4-15(20)5-7-16/h4-12H,2-3,13H2,1H3,(H2,22,23,24,25)
InChIKeyWHKCVMGMYPHLBG-UHFFFAOYSA-N
XLogP4.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 44526633) is 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WHKCVMGMYPHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-2-3-17-12-18(22-13-14-8-10-21-11-9-14)25-19(24-17)23-16-6-4-15(20)5-7-16/h4-12H,2-3,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 337.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).