1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

C19H21N7O — CID 171836295

IUPAC1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H21N7O/c1-2-10-25-13-15(12-22-25)23-17-7-8-20-18(24-17)14-3-5-16(6-4-14)26-11-9-21-19(26)27/h3-8,12-13H,2,9-11H2,1H3,(H,21,27)(H,20,23,24)
InChIKeyDFMZBMKAYUNDMD-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.02
Rot. Bonds6

About 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836295) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
PubChem CID171836295
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H21N7O/c1-2-10-25-13-15(12-22-25)23-17-7-8-20-18(24-17)14-3-5-16(6-4-14)26-11-9-21-19(26)27/h3-8,12-13H,2,9-11H2,1H3,(H,21,27)(H,20,23,24)
InChIKeyDFMZBMKAYUNDMD-UHFFFAOYSA-N
XLogP3.02
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836295) is 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is CCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1.
What is the InChIKey of 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is DFMZBMKAYUNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-10-25-13-15(12-22-25)23-17-7-8-20-18(24-17)14-3-5-16(6-4-14)26-11-9-21-19(26)27/h3-8,12-13H,2,9-11H2,1H3,(H,21,27)(H,20,23,24).
What are the key properties of 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 363.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).