4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C13H21N5O2 — CID 90453878

IUPAC4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOC[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C13H21N5O2/c1-10(8-20-3)16-11-6-12(15-9-14-11)18-5-4-17(2)13(19)7-18/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWUQIYESIXKKHEH-SNVBAGLBSA-N
MW279.34 g/mol
LogP0.20
Rot. Bonds5

About 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 90453878) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID90453878
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOC[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C13H21N5O2/c1-10(8-20-3)16-11-6-12(15-9-14-11)18-5-4-17(2)13(19)7-18/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWUQIYESIXKKHEH-SNVBAGLBSA-N
XLogP0.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464722
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464184
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354
4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133493370
4-[6-[3-(1-methoxypropan-2-yloxy)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 123557482

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 90453878) is 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is COC[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is WUQIYESIXKKHEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(8-20-3)16-11-6-12(15-9-14-11)18-5-4-17(2)13(19)7-18/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 90453878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).