N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

C15H18FN3 — CID 43428292

IUPACN-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cccc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C15H18FN3/c1-10(2)15-18-11(3)7-14(19-15)17-9-12-5-4-6-13(16)8-12/h4-8,10H,9H2,1-3H3,(H,17,18,19)
InChIKeyZRVWWOWRXAQCBX-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.66
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 43428292) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID43428292
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cccc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C15H18FN3/c1-10(2)15-18-11(3)7-14(19-15)17-9-12-5-4-6-13(16)8-12/h4-8,10H,9H2,1-3H3,(H,17,18,19)
InChIKeyZRVWWOWRXAQCBX-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767192
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
6-methyl-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-propan-2-ylpyrimidin-4-amine
CID 167847018
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168375

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 43428292) is N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCc2cccc(F)c2)nc(C(C)C)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZRVWWOWRXAQCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10(2)15-18-11(3)7-14(19-15)17-9-12-5-4-6-13(16)8-12/h4-8,10H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 43428292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).