5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine

C9H16N4O — CID 65093955

IUPAC5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1ncc(CN)c(N)n1
InChIInChI=1S/C9H16N4O/c1-14-4-2-3-8-12-6-7(5-10)9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13)
InChIKeySZWRTVLUTBTEEG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.10
Rot. Bonds5

About 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine

5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 65093955) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID65093955
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1ncc(CN)c(N)n1
InChIInChI=1S/C9H16N4O/c1-14-4-2-3-8-12-6-7(5-10)9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13)
InChIKeySZWRTVLUTBTEEG-UHFFFAOYSA-N
XLogP0.10
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine (CID 65093955) is 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine is COCCCc1ncc(CN)c(N)n1.
What is the InChIKey of 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is SZWRTVLUTBTEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-4-2-3-8-12-6-7(5-10)9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13).
What are the key properties of 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine?
5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 65093955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).