(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C17H24N6O2 — CID 10980855

IUPAC(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyCLSYUIACSIHNDU-CHWSQXEVSA-N
MW344.42 g/mol
LogP0.84
Rot. Bonds4

About (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10980855) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10980855
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyCLSYUIACSIHNDU-CHWSQXEVSA-N
XLogP0.84
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10980855) is (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1.
What is the InChIKey of (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is CLSYUIACSIHNDU-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 344.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10980855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).