2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C16H28N4O — CID 135108611

IUPAC2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NCCCOC2CCCCC2)nc1N(C)C
InChIInChI=1S/C16H28N4O/c1-13-12-18-16(19-15(13)20(2)3)17-10-7-11-21-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyILANLEAVNMGKHD-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.00
Rot. Bonds7

About 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 135108611) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID135108611
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NCCCOC2CCCCC2)nc1N(C)C
InChIInChI=1S/C16H28N4O/c1-13-12-18-16(19-15(13)20(2)3)17-10-7-11-21-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyILANLEAVNMGKHD-UHFFFAOYSA-N
XLogP3.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 135108611) is 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(NCCCOC2CCCCC2)nc1N(C)C.
What is the InChIKey of 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is ILANLEAVNMGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-12-18-16(19-15(13)20(2)3)17-10-7-11-21-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135108611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).