2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol

C18H31N5O — CID 56900266

IUPAC2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(CC3CCCCC3)C(CCO)C2)nc(N)n1
InChIInChI=1S/C18H31N5O/c1-14-11-17(21-18(19)20-14)23-9-8-22(16(13-23)7-10-24)12-15-5-3-2-4-6-15/h11,15-16,24H,2-10,12-13H2,1H3,(H2,19,20,21)
InChIKeyBLTJJJLLIGPNFG-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol

2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol (PubChem CID 56900266) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
PubChem CID56900266
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(CC3CCCCC3)C(CCO)C2)nc(N)n1
InChIInChI=1S/C18H31N5O/c1-14-11-17(21-18(19)20-14)23-9-8-22(16(13-23)7-10-24)12-15-5-3-2-4-6-15/h11,15-16,24H,2-10,12-13H2,1H3,(H2,19,20,21)
InChIKeyBLTJJJLLIGPNFG-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol (CID 56900266) is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol is Cc1cc(N2CCN(CC3CCCCC3)C(CCO)C2)nc(N)n1.
What is the InChIKey of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The InChIKey is BLTJJJLLIGPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-11-17(21-18(19)20-14)23-9-8-22(16(13-23)7-10-24)12-15-5-3-2-4-6-15/h11,15-16,24H,2-10,12-13H2,1H3,(H2,19,20,21).
What are the key properties of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol has a molecular weight of 333.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56900266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).