N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine

C13H21N3O — CID 62756957

IUPACN-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CC2CCCO2)nc1
InChIInChI=1S/C13H21N3O/c1-2-5-14-8-11-9-15-13(16-10-11)7-12-4-3-6-17-12/h9-10,12,14H,2-8H2,1H3
InChIKeyBTIZLCHYRPXOJX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds6

About N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 62756957) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID62756957
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CC2CCCO2)nc1
InChIInChI=1S/C13H21N3O/c1-2-5-14-8-11-9-15-13(16-10-11)7-12-4-3-6-17-12/h9-10,12,14H,2-8H2,1H3
InChIKeyBTIZLCHYRPXOJX-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55058917
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385419
N-[[3,5-difluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 79882719
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine (CID 62756957) is N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CC2CCCO2)nc1.
What is the InChIKey of N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is BTIZLCHYRPXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-5-14-8-11-9-15-13(16-10-11)7-12-4-3-6-17-12/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).