N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine

C12H21N3O2 — CID 43552115

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1c(OC)ncnc1OC
InChIInChI=1S/C12H21N3O2/c1-5-9(6-2)13-7-10-11(16-3)14-8-15-12(10)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyMUAMESAMCLYOII-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.77
Rot. Bonds7

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine (PubChem CID 43552115) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine
PubChem CID43552115
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1c(OC)ncnc1OC
InChIInChI=1S/C12H21N3O2/c1-5-9(6-2)13-7-10-11(16-3)14-8-15-12(10)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyMUAMESAMCLYOII-UHFFFAOYSA-N
XLogP1.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine (CID 43552115) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine is CCC(CC)NCc1c(OC)ncnc1OC.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine?
The InChIKey is MUAMESAMCLYOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-9(6-2)13-7-10-11(16-3)14-8-15-12(10)17-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine has a molecular weight of 239.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pentan-3-amine is sourced from PubChem (CID 43552115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).