4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine

C9H16N4O — CID 80772369

IUPAC4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
SMILESCOCCCNc1ncnc(N)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(10)12-6-13-9(7)11-4-3-5-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyCSLBCTFXDZYSHL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.82
Rot. Bonds5

About 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine

4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80772369) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80772369
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
SMILESCOCCCNc1ncnc(N)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(10)12-6-13-9(7)11-4-3-5-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyCSLBCTFXDZYSHL-UHFFFAOYSA-N
XLogP0.82
TPSA73.06 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 ≤ 50.82
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

5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-(3,4-dichlorophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22546817
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine (CID 80772369) is 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine is COCCCNc1ncnc(N)c1C.
What is the InChIKey of 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is CSLBCTFXDZYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(10)12-6-13-9(7)11-4-3-5-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).