2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C18H18FN5 — CID 112893666

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1ccc(CCNc2nccc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C18H18FN5/c19-16-3-1-14(2-4-16)7-11-21-18-22-12-8-17(24-18)23-13-15-5-9-20-10-6-15/h1-6,8-10,12H,7,11,13H2,(H2,21,22,23,24)
InChIKeyHHQDBCRLVROFNV-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.28
Rot. Bonds7

About 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893666) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893666
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1ccc(CCNc2nccc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C18H18FN5/c19-16-3-1-14(2-4-16)7-11-21-18-22-12-8-17(24-18)23-13-15-5-9-20-10-6-15/h1-6,8-10,12H,7,11,13H2,(H2,21,22,23,24)
InChIKeyHHQDBCRLVROFNV-UHFFFAOYSA-N
XLogP3.28
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883371
2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899162
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112893666) is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Fc1ccc(CCNc2nccc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is HHQDBCRLVROFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-16-3-1-14(2-4-16)7-11-21-18-22-12-8-17(24-18)23-13-15-5-9-20-10-6-15/h1-6,8-10,12H,7,11,13H2,(H2,21,22,23,24).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 323.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).