2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol

C20H35N5O — CID 98759876

IUPAC2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nc(C2CCNCC2)cc(N2CCN(CC(C)C)[C@@H](CCO)C2)n1
InChIInChI=1S/C20H35N5O/c1-15(2)13-24-9-10-25(14-18(24)6-11-26)20-12-19(22-16(3)23-20)17-4-7-21-8-5-17/h12,15,17-18,21,26H,4-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyUVJOUBYBMRVKDN-SFHVURJKSA-N
MW361.53 g/mol
LogP1.78
Rot. Bonds6

About 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 98759876) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID98759876
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nc(C2CCNCC2)cc(N2CCN(CC(C)C)[C@@H](CCO)C2)n1
InChIInChI=1S/C20H35N5O/c1-15(2)13-24-9-10-25(14-18(24)6-11-26)20-12-19(22-16(3)23-20)17-4-7-21-8-5-17/h12,15,17-18,21,26H,4-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyUVJOUBYBMRVKDN-SFHVURJKSA-N
XLogP1.78
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 98759876) is 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol is Cc1nc(C2CCNCC2)cc(N2CCN(CC(C)C)[C@@H](CCO)C2)n1.
What is the InChIKey of 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is UVJOUBYBMRVKDN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H35N5O/c1-15(2)13-24-9-10-25(14-18(24)6-11-26)20-12-19(22-16(3)23-20)17-4-7-21-8-5-17/h12,15,17-18,21,26H,4-11,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 361.53 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98759876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).