N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C16H19F2N3 — CID 64561231

IUPACN-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3/c1-16(2,3)20-10-13-6-7-19-15(21-13)8-11-4-5-12(17)9-14(11)18/h4-7,9,20H,8,10H2,1-3H3
InChIKeyDXBNZKGKFUSCAF-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.23
Rot. Bonds4

About N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 64561231) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID64561231
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC NameN-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3/c1-16(2,3)20-10-13-6-7-19-15(21-13)8-11-4-5-12(17)9-14(11)18/h4-7,9,20H,8,10H2,1-3H3
InChIKeyDXBNZKGKFUSCAF-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62747758
N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193617
2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747761
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 62797614
2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 55114345
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544298

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 64561231) is N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnc(Cc2ccc(F)cc2F)n1.
What is the InChIKey of N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DXBNZKGKFUSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-16(2,3)20-10-13-6-7-19-15(21-13)8-11-4-5-12(17)9-14(11)18/h4-7,9,20H,8,10H2,1-3H3.
What are the key properties of N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).