N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine

C19H18F2N4O — CID 56743170

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cncnc1NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-12(2)15-10-22-11-25-18(15)24-9-13-4-3-7-23-19(13)26-14-5-6-16(20)17(21)8-14/h3-8,10-12H,9H2,1-2H3,(H,22,24,25)
InChIKeyQVGFSIKYTLVNNE-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.68
Rot. Bonds6

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 56743170) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID56743170
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cncnc1NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-12(2)15-10-22-11-25-18(15)24-9-13-4-3-7-23-19(13)26-14-5-6-16(20)17(21)8-14/h3-8,10-12H,9H2,1-2H3,(H,22,24,25)
InChIKeyQVGFSIKYTLVNNE-UHFFFAOYSA-N
XLogP4.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine (CID 56743170) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine is CC(C)c1cncnc1NCc1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QVGFSIKYTLVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12(2)15-10-22-11-25-18(15)24-9-13-4-3-7-23-19(13)26-14-5-6-16(20)17(21)8-14/h3-8,10-12H,9H2,1-2H3,(H,22,24,25).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 356.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56743170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).