2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol

C15H26N4O2 — CID 82689461

IUPAC2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1ncnc(N2CCC(OCCO)CC2)c1C
InChIInChI=1S/C15H26N4O2/c1-3-6-16-14-12(2)15(18-11-17-14)19-7-4-13(5-8-19)21-10-9-20/h11,13,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyJFTABAMQCPZJOR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.58
Rot. Bonds7

About 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol

2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (PubChem CID 82689461) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
PubChem CID82689461
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1ncnc(N2CCC(OCCO)CC2)c1C
InChIInChI=1S/C15H26N4O2/c1-3-6-16-14-12(2)15(18-11-17-14)19-7-4-13(5-8-19)21-10-9-20/h11,13,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyJFTABAMQCPZJOR-UHFFFAOYSA-N
XLogP1.58
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (CID 82689461) is 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is CCCNc1ncnc(N2CCC(OCCO)CC2)c1C.
What is the InChIKey of 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The InChIKey is JFTABAMQCPZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-6-16-14-12(2)15(18-11-17-14)19-7-4-13(5-8-19)21-10-9-20/h11,13,20H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol has a molecular weight of 294.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82689461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).