1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one

C15H17N5O — CID 62749296

IUPAC1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1nccc(CNc2ccc(N3CCNC3=O)cc2)n1
InChIInChI=1S/C15H17N5O/c1-11-16-7-6-13(19-11)10-18-12-2-4-14(5-3-12)20-9-8-17-15(20)21/h2-7,18H,8-10H2,1H3,(H,17,21)
InChIKeyZKAUWUFYBPFRTH-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one

1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one (PubChem CID 62749296) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
PubChem CID62749296
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1nccc(CNc2ccc(N3CCNC3=O)cc2)n1
InChIInChI=1S/C15H17N5O/c1-11-16-7-6-13(19-11)10-18-12-2-4-14(5-3-12)20-9-8-17-15(20)21/h2-7,18H,8-10H2,1H3,(H,17,21)
InChIKeyZKAUWUFYBPFRTH-UHFFFAOYSA-N
XLogP1.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(propylamino)phenyl]imidazolidin-2-one
CID 43724895
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
CID 63952685
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
1-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 62344548
1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
CID 55110051
1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 86799406
1-[4-[(3-hydroxyphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43724858
3-[(2-methylpyrimidin-4-yl)methylamino]cyclopent-2-en-1-one
CID 104788316
1-(2-methyl-4-pyridinyl)imidazolidin-2-one
CID 170628851
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one (CID 62749296) is 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one is Cc1nccc(CNc2ccc(N3CCNC3=O)cc2)n1.
What is the InChIKey of 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one?
The InChIKey is ZKAUWUFYBPFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-16-7-6-13(19-11)10-18-12-2-4-14(5-3-12)20-9-8-17-15(20)21/h2-7,18H,8-10H2,1H3,(H,17,21).
What are the key properties of 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one?
1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one has a molecular weight of 283.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 62749296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).