2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

C14H17FN4 — CID 80934212

IUPAC2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyJPLGEXTUIZZMLZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.40
Rot. Bonds4

About 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80934212) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
PubChem CID80934212
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyJPLGEXTUIZZMLZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
5-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633
Benzaldehyde [2,6-bis(dimethylamino)-4-pyrimidinyl]hydrazone
CID 5335153
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine
CID 252116
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (CID 80934212) is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is CCc1nc(N)cc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is JPLGEXTUIZZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-13-17-12(16)8-14(18-13)19(2)9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).