N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

C14H24N4O3 — CID 103535978

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(N2CC(OC)C(OC)C2)nc1
InChIInChI=1S/C14H24N4O3/c1-19-5-4-15-6-11-7-16-14(17-8-11)18-9-12(20-2)13(10-18)21-3/h7-8,12-13,15H,4-6,9-10H2,1-3H3
InChIKeySKBWZZRGTSFJAB-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.06
Rot. Bonds8

About N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (PubChem CID 103535978) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
PubChem CID103535978
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(N2CC(OC)C(OC)C2)nc1
InChIInChI=1S/C14H24N4O3/c1-19-5-4-15-6-11-7-16-14(17-8-11)18-9-12(20-2)13(10-18)21-3/h7-8,12-13,15H,4-6,9-10H2,1-3H3
InChIKeySKBWZZRGTSFJAB-UHFFFAOYSA-N
XLogP0.06
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 114679313
2-[1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798536
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107457104
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (CID 103535978) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(N2CC(OC)C(OC)C2)nc1.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is SKBWZZRGTSFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-19-5-4-15-6-11-7-16-14(17-8-11)18-9-12(20-2)13(10-18)21-3/h7-8,12-13,15H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.37 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103535978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).