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

C14H24N4O2 — CID 82693758

IUPAC2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1cc(N2CCC(OCCO)CC2)ncn1
InChIInChI=1S/C14H24N4O2/c1-2-5-15-13-10-14(17-11-16-13)18-6-3-12(4-7-18)20-9-8-19/h10-12,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyYURRPGSCSWRXFK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.28
Rot. Bonds7

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

2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (PubChem CID 82693758) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
PubChem CID82693758
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1cc(N2CCC(OCCO)CC2)ncn1
InChIInChI=1S/C14H24N4O2/c1-2-5-15-13-10-14(17-11-16-13)18-6-3-12(4-7-18)20-9-8-19/h10-12,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyYURRPGSCSWRXFK-UHFFFAOYSA-N
XLogP1.28
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
CID 82684948
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
2-[1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidin-4-yl]oxyethanol
CID 103056751
N,N-dimethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188576
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939867
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (CID 82693758) is 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is CCCNc1cc(N2CCC(OCCO)CC2)ncn1.
What is the InChIKey of 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The InChIKey is YURRPGSCSWRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-5-15-13-10-14(17-11-16-13)18-6-3-12(4-7-18)20-9-8-19/h10-12,19H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol has a molecular weight of 280.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82693758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).