4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine

C8H14N4O — CID 107541939

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(CN)n1
InChIInChI=1S/C8H14N4O/c1-13-5-4-11-8-10-3-2-7(6-9)12-8/h2-3H,4-6,9H2,1H3,(H,10,11,12)
InChIKeyCICUUFJZVKDRDE-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.01
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine

4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 107541939) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID107541939
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(CN)n1
InChIInChI=1S/C8H14N4O/c1-13-5-4-11-8-10-3-2-7(6-9)12-8/h2-3H,4-6,9H2,1H3,(H,10,11,12)
InChIKeyCICUUFJZVKDRDE-UHFFFAOYSA-N
XLogP-0.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
6-(aminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 115487003
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine (CID 107541939) is 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is CICUUFJZVKDRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-13-5-4-11-8-10-3-2-7(6-9)12-8/h2-3H,4-6,9H2,1H3,(H,10,11,12).
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 182.23 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 107541939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).