N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine

C13H21N3O — CID 65328783

IUPACN-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)14-8-11-7-10(3)15-13(16-11)12-5-4-6-17-12/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyUQIBSIZCZMAYLJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds4

About N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65328783) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65328783
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)14-8-11-7-10(3)15-13(16-11)12-5-4-6-17-12/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyUQIBSIZCZMAYLJ-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine (CID 65328783) is N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(C2CCCO2)n1.
What is the InChIKey of N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is UQIBSIZCZMAYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)14-8-11-7-10(3)15-13(16-11)12-5-4-6-17-12/h7,9,12,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65328783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).