2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C17H25N7O2 — CID 22088570

IUPAC2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCOc1nc(C)nc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)n1
InChIInChI=1S/C17H25N7O2/c1-11-9-23(16-19-13(3)20-17(22-16)26-4)10-12(2)24(11)15-5-7-18-14(21-15)6-8-25/h5,7,11-12,25H,6,8-10H2,1-4H3/t11-,12+
InChIKeyASWDGDSDSQKYKX-TXEJJXNPSA-N
MW359.43 g/mol
LogP0.62
Rot. Bonds5

About 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22088570) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22088570
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCOc1nc(C)nc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)n1
InChIInChI=1S/C17H25N7O2/c1-11-9-23(16-19-13(3)20-17(22-16)26-4)10-12(2)24(11)15-5-7-18-14(21-15)6-8-25/h5,7,11-12,25H,6,8-10H2,1-4H3/t11-,12+
InChIKeyASWDGDSDSQKYKX-TXEJJXNPSA-N
XLogP0.62
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22088570) is 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is COc1nc(C)nc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)n1.
What is the InChIKey of 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is ASWDGDSDSQKYKX-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-11-9-23(16-19-13(3)20-17(22-16)26-4)10-12(2)24(11)15-5-7-18-14(21-15)6-8-25/h5,7,11-12,25H,6,8-10H2,1-4H3/t11-,12+.
What are the key properties of 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,6S)-4-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).