(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C16H26N4O — CID 68735699

IUPAC(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCC1C[C@@H](O)c2ncnc(N3CCN(C(C)(C)C)CC3)c21
InChIInChI=1S/C16H26N4O/c1-11-9-12(21)14-13(11)15(18-10-17-14)19-5-7-20(8-6-19)16(2,3)4/h10-12,21H,5-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyUPFVOORJFMHEPE-PIJUOVFKSA-N
MW290.41 g/mol
LogP1.94
Rot. Bonds1

About (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 68735699) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

Compound Name(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
PubChem CID68735699
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCC1C[C@@H](O)c2ncnc(N3CCN(C(C)(C)C)CC3)c21
InChIInChI=1S/C16H26N4O/c1-11-9-12(21)14-13(11)15(18-10-17-14)19-5-7-20(8-6-19)16(2,3)4/h10-12,21H,5-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyUPFVOORJFMHEPE-PIJUOVFKSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The IUPAC name of (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 68735699) is (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.
What is the SMILES notation for (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The canonical SMILES for (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is CC1C[C@@H](O)c2ncnc(N3CCN(C(C)(C)C)CC3)c21.
What is the InChIKey of (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The InChIKey is UPFVOORJFMHEPE-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-9-12(21)14-13(11)15(18-10-17-14)19-5-7-20(8-6-19)16(2,3)4/h10-12,21H,5-9H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 290.41 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 68735699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).