[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone

C13H20N4O — CID 134380012

IUPAC[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2ccncn2)[C@H](C)C1
InChIInChI=1S/C13H20N4O/c1-10(2)16-6-7-17(11(3)8-16)13(18)12-4-5-14-9-15-12/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyUIIZJLBAZPNIIJ-LLVKDONJSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone

[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 134380012) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID134380012
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2ccncn2)[C@H](C)C1
InChIInChI=1S/C13H20N4O/c1-10(2)16-6-7-17(11(3)8-16)13(18)12-4-5-14-9-15-12/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyUIIZJLBAZPNIIJ-LLVKDONJSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
Pyrimidine-4-carboxamide
CID 17861762
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
2-Chloropyrimidine-4-carboxamide
CID 247028
2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide
CID 77231350
2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 53602022
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53608900
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56821165
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 72143173
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
6-(piperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628643

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone (CID 134380012) is [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone is CC(C)N1CCN(C(=O)c2ccncn2)[C@H](C)C1.
What is the InChIKey of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is UIIZJLBAZPNIIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)16-6-7-17(11(3)8-16)13(18)12-4-5-14-9-15-12/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone?
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 134380012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).