4-N-decyl-2-propylpyrimidine-4,6-diamine

C17H32N4 — CID 80943780

IUPAC4-N-decyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(N)nc(CCC)n1
InChIInChI=1S/C17H32N4/c1-3-5-6-7-8-9-10-11-13-19-17-14-15(18)20-16(21-17)12-4-2/h14H,3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyNARRMJGOHUNFQF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.56
Rot. Bonds12

About 4-N-decyl-2-propylpyrimidine-4,6-diamine

4-N-decyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80943780) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N-decyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-decyl-2-propylpyrimidine-4,6-diamine
PubChem CID80943780
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N-decyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(N)nc(CCC)n1
InChIInChI=1S/C17H32N4/c1-3-5-6-7-8-9-10-11-13-19-17-14-15(18)20-16(21-17)12-4-2/h14H,3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyNARRMJGOHUNFQF-UHFFFAOYSA-N
XLogP4.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161

Frequently Asked Questions

What is the IUPAC name of 4-N-decyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-decyl-2-propylpyrimidine-4,6-diamine (CID 80943780) is 4-N-decyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-decyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-decyl-2-propylpyrimidine-4,6-diamine is CCCCCCCCCCNc1cc(N)nc(CCC)n1.
What is the InChIKey of 4-N-decyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is NARRMJGOHUNFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-5-6-7-8-9-10-11-13-19-17-14-15(18)20-16(21-17)12-4-2/h14H,3-13H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-decyl-2-propylpyrimidine-4,6-diamine?
4-N-decyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-decyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).