[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine

C20H24FN5O — CID 123245143

IUPAC[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine
SMILES[H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C20H24FN5O/c1-20(5-6-20)27-17-11-14(3-4-15(17)21)19(22)16-12-18(24-13-23-16)26-9-7-25(2)8-10-26/h3-4,11-13,22H,5-10H2,1-2H3/b22-19-
InChIKeyUHKRURFNKJSGIH-QOCHGBHMSA-N
MW369.44 g/mol
LogP2.71
Rot. Bonds5

About [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine

[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine (PubChem CID 123245143) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine.

Molecular Properties

Compound Name[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine
PubChem CID123245143
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine
SMILES[H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C20H24FN5O/c1-20(5-6-20)27-17-11-14(3-4-15(17)21)19(22)16-12-18(24-13-23-16)26-9-7-25(2)8-10-26/h3-4,11-13,22H,5-10H2,1-2H3/b22-19-
InChIKeyUHKRURFNKJSGIH-QOCHGBHMSA-N
XLogP2.71
TPSA65.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Zotiraciclib
CID 16739650
Enecadin
CID 6433114
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
N-(1-(4-(4-fluorophenoxy)phenyl)propyl)-6-methylpyrimidin-4-amine
CID 16076208
4-Pyrimidinamine, N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-propyl-
CID 16076209
N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 16076210
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
N-(4-fluorophenyl)-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 3234968

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine?
The IUPAC name of [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine (CID 123245143) is [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine.
What is the SMILES notation for [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine?
The canonical SMILES for [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine is [H]/N=C(/c1ccc(F)c(OC2(C)CC2)c1)c1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine?
The InChIKey is UHKRURFNKJSGIH-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-20(5-6-20)27-17-11-14(3-4-15(17)21)19(22)16-12-18(24-13-23-16)26-9-7-25(2)8-10-26/h3-4,11-13,22H,5-10H2,1-2H3/b22-19-.
What are the key properties of [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine?
[4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine has a molecular weight of 369.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(1-methylcyclopropyl)oxyphenyl]-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanimine is sourced from PubChem (CID 123245143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).