[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

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

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Related Compounds

[4-[6-(2-methylpropyl)pyridazin-3-yl]morpholin-3-yl]methanamine
CID 116972580
1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
CID 133476027
2-methyl-3-(2-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83897296
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
CID 116976841
[4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83095664
N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
CID 83104206
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 59474375
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
5-(3-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80653385
N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 99952124
4-[3-(aminomethyl)morpholin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137008164
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619

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).