6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

C17H28N4 — CID 103278361

IUPAC6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCC(C)(C)C1CCc2nc(N3CCNCC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-4-17(2,3)14-5-6-15-13(11-14)12-19-16(20-15)21-9-7-18-8-10-21/h12,14,18H,4-11H2,1-3H3
InChIKeyRHDLBXNXCFJOFI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.43
Rot. Bonds3

About 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 103278361) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID103278361
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCCC(C)(C)C1CCc2nc(N3CCNCC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-4-17(2,3)14-5-6-15-13(11-14)12-19-16(20-15)21-9-7-18-8-10-21/h12,14,18H,4-11H2,1-3H3
InChIKeyRHDLBXNXCFJOFI-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
CID 103278643
7-ethyl-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103278342
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150
2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 86263335
7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 14553092
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine
CID 81425763
(6R)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 28820466
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
CID 160884465

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 103278361) is 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is CCC(C)(C)C1CCc2nc(N3CCNCC3)ncc2C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is RHDLBXNXCFJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-17(2,3)14-5-6-15-13(11-14)12-19-16(20-15)21-9-7-18-8-10-21/h12,14,18H,4-11H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 288.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 103278361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).