1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one

C12H17N5O — CID 72897929

IUPAC1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C2CC2)ncn1
InChIInChI=1S/C12H17N5O/c18-12-14-4-6-17(12)5-3-13-11-7-10(9-1-2-9)15-8-16-11/h7-9H,1-6H2,(H,14,18)(H,13,15,16)
InChIKeyWHXHPWWODDVGPW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 72897929) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
PubChem CID72897929
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C2CC2)ncn1
InChIInChI=1S/C12H17N5O/c18-12-14-4-6-17(12)5-3-13-11-7-10(9-1-2-9)15-8-16-11/h7-9H,1-6H2,(H,14,18)(H,13,15,16)
InChIKeyWHXHPWWODDVGPW-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one (CID 72897929) is 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(C2CC2)ncn1.
What is the InChIKey of 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is WHXHPWWODDVGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-12-14-4-6-17(12)5-3-13-11-7-10(9-1-2-9)15-8-16-11/h7-9H,1-6H2,(H,14,18)(H,13,15,16).
What are the key properties of 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-cyclopropylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 72897929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).