2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C20H35N5O — CID 98771523

IUPAC2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1ncnc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C20H35N5O/c1-15(2)23-8-5-18(6-9-23)25-11-10-24(13-19(25)7-12-26)20-16(3)17(4)21-14-22-20/h14-15,18-19,26H,5-13H2,1-4H3/t19-/m0/s1
InChIKeyWCPVOJYAKFZWND-IBGZPJMESA-N
MW361.53 g/mol
LogP1.84
Rot. Bonds5

About 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98771523) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98771523
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1ncnc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C20H35N5O/c1-15(2)23-8-5-18(6-9-23)25-11-10-24(13-19(25)7-12-26)20-16(3)17(4)21-14-22-20/h14-15,18-19,26H,5-13H2,1-4H3/t19-/m0/s1
InChIKeyWCPVOJYAKFZWND-IBGZPJMESA-N
XLogP1.84
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 98771523) is 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1ncnc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is WCPVOJYAKFZWND-IBGZPJMESA-N. The full InChI is InChI=1S/C20H35N5O/c1-15(2)23-8-5-18(6-9-23)25-11-10-24(13-19(25)7-12-26)20-16(3)17(4)21-14-22-20/h14-15,18-19,26H,5-13H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 361.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(5,6-dimethylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98771523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).