2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile

C15H23N5O — CID 107552537

IUPAC2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-9-13(10-16)20-15(19-11)18-7-2-8-21-14-5-3-12(17)4-6-14/h9,12,14H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyLXFMNZGYAUOYPI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.75
Rot. Bonds6

About 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile

2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552537) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552537
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-9-13(10-16)20-15(19-11)18-7-2-8-21-14-5-3-12(17)4-6-14/h9,12,14H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyLXFMNZGYAUOYPI-UHFFFAOYSA-N
XLogP1.75
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.75
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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Related Compounds

2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile (CID 107552537) is 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCCOC2CCC(N)CC2)n1.
What is the InChIKey of 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is LXFMNZGYAUOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-9-13(10-16)20-15(19-11)18-7-2-8-21-14-5-3-12(17)4-6-14/h9,12,14H,2-8,17H2,1H3,(H,18,19,20).
What are the key properties of 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile?
2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).