2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol

C15H25N5O — CID 95873941

IUPAC2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
SMILESCNc1nc(N2CCN(C)[C@H](CCO)C2)nc2c1CCC2
InChIInChI=1S/C15H25N5O/c1-16-14-12-4-3-5-13(12)17-15(18-14)20-8-7-19(2)11(10-20)6-9-21/h11,21H,3-10H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyFSZILWGVNHMJIN-LLVKDONJSA-N
MW291.40 g/mol
LogP0.51
Rot. Bonds4

About 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol

2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol (PubChem CID 95873941) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
PubChem CID95873941
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
SMILESCNc1nc(N2CCN(C)[C@H](CCO)C2)nc2c1CCC2
InChIInChI=1S/C15H25N5O/c1-16-14-12-4-3-5-13(12)17-15(18-14)20-8-7-19(2)11(10-20)6-9-21/h11,21H,3-10H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyFSZILWGVNHMJIN-LLVKDONJSA-N
XLogP0.51
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol (CID 95873941) is 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol is CNc1nc(N2CCN(C)[C@H](CCO)C2)nc2c1CCC2.
What is the InChIKey of 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol?
The InChIKey is FSZILWGVNHMJIN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5O/c1-16-14-12-4-3-5-13(12)17-15(18-14)20-8-7-19(2)11(10-20)6-9-21/h11,21H,3-10H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol?
2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol has a molecular weight of 291.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 95873941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).