4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile

C14H20N4O — CID 116782062

IUPAC4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC1(c2nc(C)c(C#N)c(N)n2)CCC(C)CC1
InChIInChI=1S/C14H20N4O/c1-9-4-6-14(19-3,7-5-9)13-17-10(2)11(8-15)12(16)18-13/h9H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyYTETUQCHIPLQHE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.29
Rot. Bonds2

About 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile

4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 116782062) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID116782062
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC1(c2nc(C)c(C#N)c(N)n2)CCC(C)CC1
InChIInChI=1S/C14H20N4O/c1-9-4-6-14(19-3,7-5-9)13-17-10(2)11(8-15)12(16)18-13/h9H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyYTETUQCHIPLQHE-UHFFFAOYSA-N
XLogP2.29
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile
CID 116647144
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776210
5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 116742479
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116742448

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile (CID 116782062) is 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile is COC1(c2nc(C)c(C#N)c(N)n2)CCC(C)CC1.
What is the InChIKey of 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is YTETUQCHIPLQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-4-6-14(19-3,7-5-9)13-17-10(2)11(8-15)12(16)18-13/h9H,4-7H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116782062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).