1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine

C15H25N3O — CID 116779150

IUPAC1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCOC(c1nccc(CC(C)N)n1)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11(16)10-13-8-9-17-15(18-13)14(19-2)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,16H2,1-2H3
InChIKeyGJJCAZPSKJYYHV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine

1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine (PubChem CID 116779150) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
PubChem CID116779150
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCOC(c1nccc(CC(C)N)n1)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11(16)10-13-8-9-17-15(18-13)14(19-2)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,16H2,1-2H3
InChIKeyGJJCAZPSKJYYHV-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine (CID 116779150) is 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine is COC(c1nccc(CC(C)N)n1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine?
The InChIKey is GJJCAZPSKJYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(16)10-13-8-9-17-15(18-13)14(19-2)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,16H2,1-2H3.
What are the key properties of 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine?
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 116779150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).