(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

C20H30N6O — CID 11089997

IUPAC(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(C)c1cc(C(C)C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C20H30N6O/c1-13(2)16-12-17(14(3)4)23-20(22-16)26-10-8-25(9-11-26)18-6-7-21-19(24-18)15(5)27/h6-7,12-15,27H,8-11H2,1-5H3/t15-/m1/s1
InChIKeyTVDLCASQGHHNHG-OAHLLOKOSA-N
MW370.50 g/mol
LogP2.89
Rot. Bonds5

About (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11089997) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11089997
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(C)c1cc(C(C)C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C20H30N6O/c1-13(2)16-12-17(14(3)4)23-20(22-16)26-10-8-25(9-11-26)18-6-7-21-19(24-18)15(5)27/h6-7,12-15,27H,8-11H2,1-5H3/t15-/m1/s1
InChIKeyTVDLCASQGHHNHG-OAHLLOKOSA-N
XLogP2.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11089997) is (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(C)c1cc(C(C)C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is TVDLCASQGHHNHG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N6O/c1-13(2)16-12-17(14(3)4)23-20(22-16)26-10-8-25(9-11-26)18-6-7-21-19(24-18)15(5)27/h6-7,12-15,27H,8-11H2,1-5H3/t15-/m1/s1.
What are the key properties of (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 370.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-[4,6-di(propan-2-yl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11089997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).