4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C17H16FN5 — CID 112859560

IUPAC4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H16FN5/c18-15-4-2-1-3-14(15)11-21-17-9-16(22-12-23-17)20-10-13-5-7-19-8-6-13/h1-9,12H,10-11H2,(H2,20,21,22,23)
InChIKeyQDYKGAPLLCUVES-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.23
Rot. Bonds6

About 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112859560) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112859560
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H16FN5/c18-15-4-2-1-3-14(15)11-21-17-9-16(22-12-23-17)20-10-13-5-7-19-8-6-13/h1-9,12H,10-11H2,(H2,20,21,22,23)
InChIKeyQDYKGAPLLCUVES-UHFFFAOYSA-N
XLogP3.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855276
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859683
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112859560) is 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Fc1ccccc1CNc1cc(NCc2ccncc2)ncn1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is QDYKGAPLLCUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-15-4-2-1-3-14(15)11-21-17-9-16(22-12-23-17)20-10-13-5-7-19-8-6-13/h1-9,12H,10-11H2,(H2,20,21,22,23).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 309.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112859560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).