4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine

C12H22N4O — CID 134568943

IUPAC4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCCOC
InChIInChI=1S/C12H22N4O/c1-3-4-7-14-11-10(6-5-8-17-2)9-15-12(13)16-11/h9H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyJQNVMMAULNGRBS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.85
Rot. Bonds8

About 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine

4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine (PubChem CID 134568943) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
PubChem CID134568943
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCCOC
InChIInChI=1S/C12H22N4O/c1-3-4-7-14-11-10(6-5-8-17-2)9-15-12(13)16-11/h9H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyJQNVMMAULNGRBS-UHFFFAOYSA-N
XLogP1.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.85
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

4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
CID 134569298
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
CID 134569287
CID 89037212
CID 89037212
4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
CID 134569274
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
5-butyl-4-methoxypyrimidin-2-amine
CID 13301093
1-[[2-amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
CID 70856475
5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
CID 134569005
5-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine (CID 134568943) is 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1CCCOC.
What is the InChIKey of 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is JQNVMMAULNGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-7-14-11-10(6-5-8-17-2)9-15-12(13)16-11/h9H,3-8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine?
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134568943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).