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

C15H26N4O — CID 99960942

IUPAC[(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
SMILESCCCNc1ncc(CN2CCCCC[C@@H]2CO)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)/t14-/m1/s1
InChIKeyGJEAVVCMGXODKU-CQSZACIVSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds6

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

[(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol (PubChem CID 99960942) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
PubChem CID99960942
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
SMILESCCCNc1ncc(CN2CCCCC[C@@H]2CO)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)/t14-/m1/s1
InChIKeyGJEAVVCMGXODKU-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The IUPAC name of [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol (CID 99960942) is [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol is CCCNc1ncc(CN2CCCCC[C@@H]2CO)cn1.
What is the InChIKey of [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
The InChIKey is GJEAVVCMGXODKU-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol?
[(2R)-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 [(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 99960942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).