(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H18N2 — CID 58172142

IUPAC(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C12H18N2/c1-8-5-6-9-10(8)11(12(2,3)4)14-7-13-9/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWMRHWPRHKKQEBT-QMMMGPOBSA-N
MW190.29 g/mol
LogP2.82
Rot. Bonds

About (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 58172142) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID58172142
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C12H18N2/c1-8-5-6-9-10(8)11(12(2,3)4)14-7-13-9/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWMRHWPRHKKQEBT-QMMMGPOBSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 58172142) is (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@H]1CCc2ncnc(C(C)(C)C)c21.
What is the InChIKey of (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is WMRHWPRHKKQEBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-5-6-9-10(8)11(12(2,3)4)14-7-13-9/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58172142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).