4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

C13H22N6O — CID 25130913

IUPAC4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1
InChIInChI=1S/C13H22N6O/c1-17-2-4-18(5-3-17)11-10-12(16-13(14)15-11)19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyGSDRMHBYGSMULI-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.35
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 25130913) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID25130913
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1
InChIInChI=1S/C13H22N6O/c1-17-2-4-18(5-3-17)11-10-12(16-13(14)15-11)19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyGSDRMHBYGSMULI-UHFFFAOYSA-N
XLogP-0.35
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (CID 25130913) is 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is CN1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is GSDRMHBYGSMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-17-2-4-18(5-3-17)11-10-12(16-13(14)15-11)19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 278.36 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 25130913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).