4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

C18H25N5 — CID 155901264

IUPAC4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3
InChIKeyBUIQMBXSZXGMSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds2

About 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 155901264) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID155901264
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3
InChIKeyBUIQMBXSZXGMSL-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
2,6-dimethyl-4-[2-[1-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine
CID 133338567
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
3-phenyl-7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327608
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazepane
CID 166200680
4-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]but-2-yn-1-ol
CID 168745052
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 86900405
N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 86900427
2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 133354297
2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4682397

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (CID 155901264) is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is CN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is BUIQMBXSZXGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 311.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 155901264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).