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

C20H32N4O2 — CID 95209067

IUPAC[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol
SMILESCNc1nc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)nc2c1CCC2
InChIInChI=1S/C20H32N4O2/c1-21-18-16-6-4-7-17(16)22-19(23-18)24-10-8-20(14-25,9-11-24)13-15-5-2-3-12-26-15/h15,25H,2-14H2,1H3,(H,21,22,23)/t15-/m1/s1
InChIKeyMDFBVYLEPCMTKT-OAHLLOKOSA-N
MW360.50 g/mol
LogP2.55
Rot. Bonds5

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

[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol (PubChem CID 95209067) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol
PubChem CID95209067
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol
SMILESCNc1nc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)nc2c1CCC2
InChIInChI=1S/C20H32N4O2/c1-21-18-16-6-4-7-17(16)22-19(23-18)24-10-8-20(14-25,9-11-24)13-15-5-2-3-12-26-15/h15,25H,2-14H2,1H3,(H,21,22,23)/t15-/m1/s1
InChIKeyMDFBVYLEPCMTKT-OAHLLOKOSA-N
XLogP2.55
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol (CID 95209067) is [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol is CNc1nc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)nc2c1CCC2.
What is the InChIKey of [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is MDFBVYLEPCMTKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-21-18-16-6-4-7-17(16)22-19(23-18)24-10-8-20(14-25,9-11-24)13-15-5-2-3-12-26-15/h15,25H,2-14H2,1H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol?
[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 360.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 95209067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).