[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine

C13H22N4O2 — CID 112634676

IUPAC[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
SMILESCCCOc1cc(C)nc(N2CCOC(CN)C2)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9,14H2,1-2H3
InChIKeyNUCOPSANDPMVGN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.74
Rot. Bonds5

About [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine

[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine (PubChem CID 112634676) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
PubChem CID112634676
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
SMILESCCCOc1cc(C)nc(N2CCOC(CN)C2)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9,14H2,1-2H3
InChIKeyNUCOPSANDPMVGN-UHFFFAOYSA-N
XLogP0.74
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine (CID 112634676) is [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine is CCCOc1cc(C)nc(N2CCOC(CN)C2)n1.
What is the InChIKey of [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine?
The InChIKey is NUCOPSANDPMVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9,14H2,1-2H3.
What are the key properties of [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine?
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 112634676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).