N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine

C22H25N5O2 — CID 123491502

IUPACN-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine
SMILESC=C(C)c1ccc(-c2cc(Nc3cc(CN(C)O)cc(C)n3)ncn2)c(OC)c1
InChIInChI=1S/C22H25N5O2/c1-14(2)17-6-7-18(20(10-17)29-5)19-11-21(24-13-23-19)26-22-9-16(12-27(4)28)8-15(3)25-22/h6-11,13,28H,1,12H2,2-5H3,(H,23,24,25,26)
InChIKeyQFMKZZGGYZYHCM-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.45
Rot. Bonds7

About N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine

N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine (PubChem CID 123491502) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine
PubChem CID123491502
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine
SMILESC=C(C)c1ccc(-c2cc(Nc3cc(CN(C)O)cc(C)n3)ncn2)c(OC)c1
InChIInChI=1S/C22H25N5O2/c1-14(2)17-6-7-18(20(10-17)29-5)19-11-21(24-13-23-19)26-22-9-16(12-27(4)28)8-15(3)25-22/h6-11,13,28H,1,12H2,2-5H3,(H,23,24,25,26)
InChIKeyQFMKZZGGYZYHCM-UHFFFAOYSA-N
XLogP4.45
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine?
The IUPAC name of N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine (CID 123491502) is N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine is C=C(C)c1ccc(-c2cc(Nc3cc(CN(C)O)cc(C)n3)ncn2)c(OC)c1.
What is the InChIKey of N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine?
The InChIKey is QFMKZZGGYZYHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)17-6-7-18(20(10-17)29-5)19-11-21(24-13-23-19)26-22-9-16(12-27(4)28)8-15(3)25-22/h6-11,13,28H,1,12H2,2-5H3,(H,23,24,25,26).
What are the key properties of N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine?
N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine has a molecular weight of 391.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[6-(2-methoxy-4-prop-1-en-2-ylphenyl)pyrimidin-4-yl]amino]-6-methyl-4-pyridinyl]methyl]-N-methylhydroxylamine is sourced from PubChem (CID 123491502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).