N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine

C14H25N3O — CID 114206812

IUPACN-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCCOCc1ncc(CNCC)c(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-7-18-10-13-16-9-12(8-15-6-2)14(17-13)11(3)4/h9,11,15H,5-8,10H2,1-4H3
InChIKeyFLUBISFUWBPCFK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds8

About N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine

N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 114206812) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID114206812
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCCOCc1ncc(CNCC)c(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-7-18-10-13-16-9-12(8-15-6-2)14(17-13)11(3)4/h9,11,15H,5-8,10H2,1-4H3
InChIKeyFLUBISFUWBPCFK-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
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-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
CID 114206620
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
4,6-dichloro-5-propan-2-yl-2-(propoxymethyl)pyrimidine
CID 63612503
N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 65239762
N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83188930
CID 159079953
CID 159079953
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine (CID 114206812) is N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine is CCCOCc1ncc(CNCC)c(C(C)C)n1.
What is the InChIKey of N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is FLUBISFUWBPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-18-10-13-16-9-12(8-15-6-2)14(17-13)11(3)4/h9,11,15H,5-8,10H2,1-4H3.
What are the key properties of N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 114206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).