2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine

C14H19N5O — CID 110270900

IUPAC2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-10-7-17-18-13(10)14(3)8-19(4-5-20-14)12-6-11(2)15-9-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyTUAZBCHPVQBFFC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine

2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine (PubChem CID 110270900) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine
PubChem CID110270900
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-10-7-17-18-13(10)14(3)8-19(4-5-20-14)12-6-11(2)15-9-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyTUAZBCHPVQBFFC-UHFFFAOYSA-N
XLogP1.57
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine (CID 110270900) is 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine is Cc1cc(N2CCOC(C)(c3[nH]ncc3C)C2)ncn1.
What is the InChIKey of 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine?
The InChIKey is TUAZBCHPVQBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-7-17-18-13(10)14(3)8-19(4-5-20-14)12-6-11(2)15-9-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine?
2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110270900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).