2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine

C17H25N5O — CID 133365049

IUPAC2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(c3cnn(C)c3)C2)nc(C(C)C)n1
InChIInChI=1S/C17H25N5O/c1-12(2)16-19-13(3)8-15(20-16)22-6-7-23-17(4,11-22)14-9-18-21(5)10-14/h8-10,12H,6-7,11H2,1-5H3
InChIKeyRYQHAZNMOJVYTP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine

2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133365049) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133365049
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(c3cnn(C)c3)C2)nc(C(C)C)n1
InChIInChI=1S/C17H25N5O/c1-12(2)16-19-13(3)8-15(20-16)22-6-7-23-17(4,11-22)14-9-18-21(5)10-14/h8-10,12H,6-7,11H2,1-5H3
InChIKeyRYQHAZNMOJVYTP-UHFFFAOYSA-N
XLogP2.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364977
2-methyl-2-(1-methylpyrazol-4-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 75509895
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
CID 97226347
6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carboxamide
CID 133365217
4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365120
[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133365180
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364964
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470253
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365171
N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133365112
4-ethyl-2-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137270730
4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127909652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine (CID 133365049) is 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine is Cc1cc(N2CCOC(C)(c3cnn(C)c3)C2)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is RYQHAZNMOJVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)16-19-13(3)8-15(20-16)22-6-7-23-17(4,11-22)14-9-18-21(5)10-14/h8-10,12H,6-7,11H2,1-5H3.
What are the key properties of 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine?
2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 315.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133365049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).