N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C14H23N5O — CID 171359849

IUPACN-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1nc(NC[C@H]2CNCCCO2)cc(N2CCCC2)n1
InChIInChI=1S/C14H23N5O/c1-2-6-19(5-1)14-8-13(17-11-18-14)16-10-12-9-15-4-3-7-20-12/h8,11-12,15H,1-7,9-10H2,(H,16,17,18)/t12-/m1/s1
InChIKeyFVYFYDBDBGXPAW-GFCCVEGCSA-N
MW277.37 g/mol
LogP0.87
Rot. Bonds4

About N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 171359849) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID171359849
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1nc(NC[C@H]2CNCCCO2)cc(N2CCCC2)n1
InChIInChI=1S/C14H23N5O/c1-2-6-19(5-1)14-8-13(17-11-18-14)16-10-12-9-15-4-3-7-20-12/h8,11-12,15H,1-7,9-10H2,(H,16,17,18)/t12-/m1/s1
InChIKeyFVYFYDBDBGXPAW-GFCCVEGCSA-N
XLogP0.87
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 171359849) is N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is c1nc(NC[C@H]2CNCCCO2)cc(N2CCCC2)n1.
What is the InChIKey of N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is FVYFYDBDBGXPAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-6-19(5-1)14-8-13(17-11-18-14)16-10-12-9-15-4-3-7-20-12/h8,11-12,15H,1-7,9-10H2,(H,16,17,18)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 171359849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).