(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol

C17H23N7O2 — CID 147683885

IUPAC(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC=C1CN(c2ccnc([C@@H](C)O)n2)C[C@@H](C)N1c1ncnc(COC)n1
InChIInChI=1S/C17H23N7O2/c1-11-7-23(15-5-6-18-16(22-15)13(3)25)8-12(2)24(11)17-20-10-19-14(21-17)9-26-4/h5-6,10,12-13,25H,1,7-9H2,2-4H3/t12-,13-/m1/s1
InChIKeyGPQKLSUFPPNNPF-CHWSQXEVSA-N
MW357.42 g/mol
LogP1.09
Rot. Bonds5

About (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 147683885) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID147683885
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC=C1CN(c2ccnc([C@@H](C)O)n2)C[C@@H](C)N1c1ncnc(COC)n1
InChIInChI=1S/C17H23N7O2/c1-11-7-23(15-5-6-18-16(22-15)13(3)25)8-12(2)24(11)17-20-10-19-14(21-17)9-26-4/h5-6,10,12-13,25H,1,7-9H2,2-4H3/t12-,13-/m1/s1
InChIKeyGPQKLSUFPPNNPF-CHWSQXEVSA-N
XLogP1.09
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 147683885) is (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol is C=C1CN(c2ccnc([C@@H](C)O)n2)C[C@@H](C)N1c1ncnc(COC)n1.
What is the InChIKey of (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is GPQKLSUFPPNNPF-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-11-7-23(15-5-6-18-16(22-15)13(3)25)8-12(2)24(11)17-20-10-19-14(21-17)9-26-4/h5-6,10,12-13,25H,1,7-9H2,2-4H3/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 357.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 147683885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).