5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

C16H14FN5 — CID 3734343

IUPAC5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F
InChIInChI=1S/C16H14FN5/c17-12-6-2-1-5-10(12)9-11-14(18)21-16(22-15(11)19)13-7-3-4-8-20-13/h1-8H,9H2,(H4,18,19,21,22)
InChIKeyBLJDNNFXOCIXOL-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.43
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 3734343) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID3734343
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F
InChIInChI=1S/C16H14FN5/c17-12-6-2-1-5-10(12)9-11-14(18)21-16(22-15(11)19)13-7-3-4-8-20-13/h1-8H,9H2,(H4,18,19,21,22)
InChIKeyBLJDNNFXOCIXOL-UHFFFAOYSA-N
XLogP2.43
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (CID 3734343) is 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is Nc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is BLJDNNFXOCIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c17-12-6-2-1-5-10(12)9-11-14(18)21-16(22-15(11)19)13-7-3-4-8-20-13/h1-8H,9H2,(H4,18,19,21,22).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 295.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 3734343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).