4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C14H24N4O — CID 75422023

IUPAC4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCOC1CCC(N(C)c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C14H24N4O/c1-17(2)14-15-10-9-13(16-14)18(3)11-5-7-12(19-4)8-6-11/h9-12H,5-8H2,1-4H3
InChIKeySIZXPPVWFCZGGO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds4

About 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 75422023) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID75422023
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCOC1CCC(N(C)c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C14H24N4O/c1-17(2)14-15-10-9-13(16-14)18(3)11-5-7-12(19-4)8-6-11/h9-12H,5-8H2,1-4H3
InChIKeySIZXPPVWFCZGGO-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 75422023) is 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is COC1CCC(N(C)c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is SIZXPPVWFCZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17(2)14-15-10-9-13(16-14)18(3)11-5-7-12(19-4)8-6-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 75422023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).