N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine

C13H23N3O — CID 66331828

IUPACN-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
SMILESCCCC(Cc1cc(OC(C)C)ncn1)NC
InChIInChI=1S/C13H23N3O/c1-5-6-11(14-4)7-12-8-13(16-9-15-12)17-10(2)3/h8-11,14H,5-7H2,1-4H3
InChIKeyYFKDAZSTZJNZOO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.19
Rot. Bonds7

About N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine

N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine (PubChem CID 66331828) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
PubChem CID66331828
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
SMILESCCCC(Cc1cc(OC(C)C)ncn1)NC
InChIInChI=1S/C13H23N3O/c1-5-6-11(14-4)7-12-8-13(16-9-15-12)17-10(2)3/h8-11,14H,5-7H2,1-4H3
InChIKeyYFKDAZSTZJNZOO-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine (CID 66331828) is N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine is CCCC(Cc1cc(OC(C)C)ncn1)NC.
What is the InChIKey of N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The InChIKey is YFKDAZSTZJNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-11(14-4)7-12-8-13(16-9-15-12)17-10(2)3/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 66331828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).