2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C19H26FN3O — CID 133400592

IUPAC2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)C(C)c2ccccc2F)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26FN3O/c1-13(15-9-7-8-10-16(15)20)23(5)17-11-14(12-24-6)21-18(22-17)19(2,3)4/h7-11,13H,12H2,1-6H3
InChIKeyWBDPJEKNJYFBNS-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.26
Rot. Bonds5

About 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 133400592) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID133400592
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)C(C)c2ccccc2F)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26FN3O/c1-13(15-9-7-8-10-16(15)20)23(5)17-11-14(12-24-6)21-18(22-17)19(2,3)4/h7-11,13H,12H2,1-6H3
InChIKeyWBDPJEKNJYFBNS-UHFFFAOYSA-N
XLogP4.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318905
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
[6-[1-(2-fluorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62984853
5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62983613
4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80808525
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
CID 62980554
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 133400592) is 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is COCc1cc(N(C)C(C)c2ccccc2F)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is WBDPJEKNJYFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-13(15-9-7-8-10-16(15)20)23(5)17-11-14(12-24-6)21-18(22-17)19(2,3)4/h7-11,13H,12H2,1-6H3.
What are the key properties of 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133400592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).