N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide

C10H16N4O3 — CID 119406242

IUPACN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)NCCCN
InChIInChI=1S/C10H16N4O3/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyPKVDERABBIVWNN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.43
Rot. Bonds6

About N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide

N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 119406242) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID119406242
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)NCCCN
InChIInChI=1S/C10H16N4O3/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyPKVDERABBIVWNN-UHFFFAOYSA-N
XLogP-0.43
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide (CID 119406242) is N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is PKVDERABBIVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-9-7(8(15)12-5-3-4-11)10(17-2)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,15).
What are the key properties of N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide?
N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 119406242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).