4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C21H29N5O2 — CID 133493370

IUPAC4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCC(C)Oc1cc(C)ccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C21H29N5O2/c1-5-16(3)28-18-10-15(2)6-7-17(18)12-22-19-11-20(24-14-23-19)26-9-8-25(4)21(27)13-26/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3,(H,22,23,24)
InChIKeyJUIFEJADPZGOOX-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.85
Rot. Bonds7

About 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133493370) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133493370
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCC(C)Oc1cc(C)ccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C21H29N5O2/c1-5-16(3)28-18-10-15(2)6-7-17(18)12-22-19-11-20(24-14-23-19)26-9-8-25(4)21(27)13-26/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3,(H,22,23,24)
InChIKeyJUIFEJADPZGOOX-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133489692
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
1-methyl-4-[6-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]piperazin-2-one
CID 133464683
4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464722
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133493370) is 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is CCC(C)Oc1cc(C)ccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is JUIFEJADPZGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-5-16(3)28-18-10-15(2)6-7-17(18)12-22-19-11-20(24-14-23-19)26-9-8-25(4)21(27)13-26/h6-7,10-11,14,16H,5,8-9,12-13H2,1-4H3,(H,22,23,24).
What are the key properties of 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 383.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133493370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).