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

C13H17N5O — CID 110112074

IUPAC2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
SMILESCc1nccc(C2CN(Cc3ccn[nH]3)CCO2)n1
InChIInChI=1S/C13H17N5O/c1-10-14-4-3-12(16-10)13-9-18(6-7-19-13)8-11-2-5-15-17-11/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyDHPUXDIYNDGJSJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.08
Rot. Bonds3

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

2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine (PubChem CID 110112074) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
PubChem CID110112074
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
SMILESCc1nccc(C2CN(Cc3ccn[nH]3)CCO2)n1
InChIInChI=1S/C13H17N5O/c1-10-14-4-3-12(16-10)13-9-18(6-7-19-13)8-11-2-5-15-17-11/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyDHPUXDIYNDGJSJ-UHFFFAOYSA-N
XLogP1.08
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(Pyrrolidin-1-yl)pyrimidin-4-yl]morpholine
CID 122198966
CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrazin-2-ylmorpholine
CID 110269268
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269334
[2-(6-Amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 110271877
[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 110271878
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
N,N-dimethyl-4-(morpholin-2-yl)pyrimidin-2-amine
CID 66510018
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
CID 128565528

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine (CID 110112074) is 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine is Cc1nccc(C2CN(Cc3ccn[nH]3)CCO2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine?
The InChIKey is DHPUXDIYNDGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-14-4-3-12(16-10)13-9-18(6-7-19-13)8-11-2-5-15-17-11/h2-5,13H,6-9H2,1H3,(H,15,17).
What are the key properties of 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine?
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine is sourced from PubChem (CID 110112074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).