[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol

C15H26N4O — CID 77098097

IUPAC[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
SMILESCCCNc1ncc(CN2CCCCCC2CO)cn1
InChIInChI=1S/C15H26N4O/c1-2-7-16-15-17-9-13(10-18-15)11-19-8-5-3-4-6-14(19)12-20/h9-10,14,20H,2-8,11-12H2,1H3,(H,16,17,18)
InChIKeyGJEAVVCMGXODKU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds6

About [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol

[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol (PubChem CID 77098097) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
PubChem CID77098097
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
SMILESCCCNc1ncc(CN2CCCCCC2CO)cn1
InChIInChI=1S/C15H26N4O/c1-2-7-16-15-17-9-13(10-18-15)11-19-8-5-3-4-6-14(19)12-20/h9-10,14,20H,2-8,11-12H2,1H3,(H,16,17,18)
InChIKeyGJEAVVCMGXODKU-UHFFFAOYSA-N
XLogP2.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
CID 62208088
[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
CID 116637998
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
CID 62208586
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99952578
methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate
CID 50972892
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol (CID 77098097) is [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol is CCCNc1ncc(CN2CCCCCC2CO)cn1.
What is the InChIKey of [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The InChIKey is GJEAVVCMGXODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-7-16-15-17-9-13(10-18-15)11-19-8-5-3-4-6-14(19)12-20/h9-10,14,20H,2-8,11-12H2,1H3,(H,16,17,18).
What are the key properties of [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 77098097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).