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

C19H21N7O2 — CID 171836315

IUPAC1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCC(CO)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H21N7O2/c1-13(12-27)26-11-15(10-22-26)23-17-6-7-20-18(24-17)14-2-4-16(5-3-14)25-9-8-21-19(25)28/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,21,28)(H,20,23,24)
InChIKeyHZINNPDDBVCPNP-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.17
Rot. Bonds6

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

1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836315) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
PubChem CID171836315
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCC(CO)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H21N7O2/c1-13(12-27)26-11-15(10-22-26)23-17-6-7-20-18(24-17)14-2-4-16(5-3-14)25-9-8-21-19(25)28/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,21,28)(H,20,23,24)
InChIKeyHZINNPDDBVCPNP-UHFFFAOYSA-N
XLogP2.17
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836315) is 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is CC(CO)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1.
What is the InChIKey of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is HZINNPDDBVCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13(12-27)26-11-15(10-22-26)23-17-6-7-20-18(24-17)14-2-4-16(5-3-14)25-9-8-21-19(25)28/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,21,28)(H,20,23,24).
What are the key properties of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).