[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C19H31N5O — CID 71862486

IUPAC[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ccnc(C(C)(C)C)n3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-19(2,3)18-20-8-5-16(21-18)23-9-6-15(7-10-23)17(25)24-13-11-22(4)12-14-24/h5,8,15H,6-7,9-14H2,1-4H3
InChIKeyNQTPYCLIDSCSJK-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.76
Rot. Bonds2

About [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71862486) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71862486
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ccnc(C(C)(C)C)n3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-19(2,3)18-20-8-5-16(21-18)23-9-6-15(7-10-23)17(25)24-13-11-22(4)12-14-24/h5,8,15H,6-7,9-14H2,1-4H3
InChIKeyNQTPYCLIDSCSJK-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171994811
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
[(2R)-1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 96528565
[1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 172881484
2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 133333986
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
CID 71923731
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 75423664
1-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 167872383
N-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172900245
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
cyclopropyl-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499066
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172900726

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 71862486) is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(c3ccnc(C(C)(C)C)n3)CC2)CC1.
What is the InChIKey of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NQTPYCLIDSCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2,3)18-20-8-5-16(21-18)23-9-6-15(7-10-23)17(25)24-13-11-22(4)12-14-24/h5,8,15H,6-7,9-14H2,1-4H3.
What are the key properties of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71862486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).