tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

C17H26N4O2 — CID 143606907

IUPACtert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2c1CCC2
InChIInChI=1S/C17H26N4O2/c1-12-10-20(16(22)23-17(2,3)4)8-9-21(12)15-13-6-5-7-14(13)18-11-19-15/h11-12H,5-10H2,1-4H3
InChIKeyQEIDTEHRWDHMOG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate (PubChem CID 143606907) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
PubChem CID143606907
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nametert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2c1CCC2
InChIInChI=1S/C17H26N4O2/c1-12-10-20(16(22)23-17(2,3)4)8-9-21(12)15-13-6-5-7-14(13)18-11-19-15/h11-12H,5-10H2,1-4H3
InChIKeyQEIDTEHRWDHMOG-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate
CID 135271035
1'-(6,7-dihydro-5{H}-cyclopenta[{d}]pyrimidin-4-yl)-1,4'-bipiperidine
CID 53192870
4-piperidino-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 53192872
1-(4-{5H,6H,7H-Cyclopenta[D]pyrimidin-4-YL}piperazin-1-YL)-2-methoxyethan-1-one
CID 53192947
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70707876
Tert-butyl (S)-3-((5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4-YL)amino)pyrrolidine-1-carboxylate
CID 57495324
(R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 59580350
(R)-tert-Butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 59682823
(R)-4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine 1-oxide
CID 67338667
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 56826362
2-(4-(6,7-Dihydro-5h-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)ethan-1-ol
CID 62832069
1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 95764383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate (CID 143606907) is tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2c1CCC2.
What is the InChIKey of tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The InChIKey is QEIDTEHRWDHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-10-20(16(22)23-17(2,3)4)8-9-21(12)15-13-6-5-7-14(13)18-11-19-15/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 143606907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).