[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine

C13H22N4O — CID 116976337

IUPAC[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine
SMILESCC(C)Cc1cnc(N2CCOCC2CN)nc1
InChIInChI=1S/C13H22N4O/c1-10(2)5-11-7-15-13(16-8-11)17-3-4-18-9-12(17)6-14/h7-8,10,12H,3-6,9,14H2,1-2H3
InChIKeyUPTBLVJJTGRVDM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine

[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine (PubChem CID 116976337) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine
PubChem CID116976337
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine
SMILESCC(C)Cc1cnc(N2CCOCC2CN)nc1
InChIInChI=1S/C13H22N4O/c1-10(2)5-11-7-15-13(16-8-11)17-3-4-18-9-12(17)6-14/h7-8,10,12H,3-6,9,14H2,1-2H3
InChIKeyUPTBLVJJTGRVDM-UHFFFAOYSA-N
XLogP0.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine (CID 116976337) is [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine is CC(C)Cc1cnc(N2CCOCC2CN)nc1.
What is the InChIKey of [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine?
The InChIKey is UPTBLVJJTGRVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)5-11-7-15-13(16-8-11)17-3-4-18-9-12(17)6-14/h7-8,10,12H,3-6,9,14H2,1-2H3.
What are the key properties of [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine?
[4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-methylpropyl)pyrimidin-2-yl]morpholin-3-yl]methanamine is sourced from PubChem (CID 116976337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).