1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one

C18H29N7O — CID 167815242

IUPAC1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1
InChIInChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26)
InChIKeyYPWKJQNOROBNFR-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.22
Rot. Bonds4

About 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 167815242) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID167815242
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1
InChIInChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26)
InChIKeyYPWKJQNOROBNFR-UHFFFAOYSA-N
XLogP0.22
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one (CID 167815242) is 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one is CN1CCN(c2ncc(CN3CCCC(N4CCNC4=O)C3)cn2)CC1.
What is the InChIKey of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is YPWKJQNOROBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-22-7-9-24(10-8-22)17-20-11-15(12-21-17)13-23-5-2-3-16(14-23)25-6-4-19-18(25)26/h11-12,16H,2-10,13-14H2,1H3,(H,19,26).
What are the key properties of 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 359.48 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 167815242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).