1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one

C12H19N7O — CID 25130234

IUPAC1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cc(N3CCNC3=O)nc(N)n2)CC1
InChIInChI=1S/C12H19N7O/c1-17-4-6-18(7-5-17)9-8-10(16-11(13)15-9)19-3-2-14-12(19)20/h8H,2-7H2,1H3,(H,14,20)(H2,13,15,16)
InChIKeyJWFOFYPLOPEWKE-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.66
Rot. Bonds2

About 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one

1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 25130234) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
PubChem CID25130234
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cc(N3CCNC3=O)nc(N)n2)CC1
InChIInChI=1S/C12H19N7O/c1-17-4-6-18(7-5-17)9-8-10(16-11(13)15-9)19-3-2-14-12(19)20/h8H,2-7H2,1H3,(H,14,20)(H2,13,15,16)
InChIKeyJWFOFYPLOPEWKE-UHFFFAOYSA-N
XLogP-0.66
TPSA90.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one (CID 25130234) is 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one is CN1CCN(c2cc(N3CCNC3=O)nc(N)n2)CC1.
What is the InChIKey of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is JWFOFYPLOPEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-17-4-6-18(7-5-17)9-8-10(16-11(13)15-9)19-3-2-14-12(19)20/h8H,2-7H2,1H3,(H,14,20)(H2,13,15,16).
What are the key properties of 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one?
1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 25130234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).