N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

C20H21FN4 — CID 51042444

IUPACN,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F
InChIInChI=1S/C20H21FN4/c1-3-25(4-2)20-16(13-15-9-5-6-10-17(15)21)14-23-19(24-20)18-11-7-8-12-22-18/h5-12,14H,3-4,13H2,1-2H3
InChIKeyQUNILCUCERHGFQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.11
Rot. Bonds6

About N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 51042444) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID51042444
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F
InChIInChI=1S/C20H21FN4/c1-3-25(4-2)20-16(13-15-9-5-6-10-17(15)21)14-23-19(24-20)18-11-7-8-12-22-18/h5-12,14H,3-4,13H2,1-2H3
InChIKeyQUNILCUCERHGFQ-UHFFFAOYSA-N
XLogP4.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 51042448
4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
CID 86668904
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
5-(aminomethyl)-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 82509043
N-ethyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51042235
N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 159082705
N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 53234793
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
5-methyl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine
CID 130244154
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 51042444) is N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is CCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F.
What is the InChIKey of N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is QUNILCUCERHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-3-25(4-2)20-16(13-15-9-5-6-10-17(15)21)14-23-19(24-20)18-11-7-8-12-22-18/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 336.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 51042444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).