1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one

C19H22Cl2N6O — CID 122507235

IUPAC1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one
SMILESCc1cc(NC2CCCNC2)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C19H22Cl2N6O/c1-12-9-17(24-13-3-2-6-22-11-13)25-18(23-12)27-8-7-26(19(27)28)14-4-5-15(20)16(21)10-14/h4-5,9-10,13,22H,2-3,6-8,11H2,1H3,(H,23,24,25)
InChIKeyLXHKSAUVOGUKDC-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.70
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one

1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 122507235) has the molecular formula C19H22Cl2N6O and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one
PubChem CID122507235
Molecular FormulaC19H22Cl2N6O
Molecular Weight421.33 g/mol
Exact Mass420.12
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one
SMILESCc1cc(NC2CCCNC2)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C19H22Cl2N6O/c1-12-9-17(24-13-3-2-6-22-11-13)25-18(23-12)27-8-7-26(19(27)28)14-4-5-15(20)16(21)10-14/h4-5,9-10,13,22H,2-3,6-8,11H2,1H3,(H,23,24,25)
InChIKeyLXHKSAUVOGUKDC-UHFFFAOYSA-N
XLogP3.70
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one (CID 122507235) is 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one is Cc1cc(NC2CCCNC2)nc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is LXHKSAUVOGUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6O/c1-12-9-17(24-13-3-2-6-22-11-13)25-18(23-12)27-8-7-26(19(27)28)14-4-5-15(20)16(21)10-14/h4-5,9-10,13,22H,2-3,6-8,11H2,1H3,(H,23,24,25).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one?
1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 421.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 122507235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).