[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

C14H18N6O2 — CID 110271877

IUPAC[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1nc(N)cc(C2CN(C(=O)c3ccn(C)n3)CCO2)n1
InChIInChI=1S/C14H18N6O2/c1-9-16-11(7-13(15)17-9)12-8-20(5-6-22-12)14(21)10-3-4-19(2)18-10/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIMVVJABZIQUNRD-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.31
Rot. Bonds2

About [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110271877) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110271877
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1nc(N)cc(C2CN(C(=O)c3ccn(C)n3)CCO2)n1
InChIInChI=1S/C14H18N6O2/c1-9-16-11(7-13(15)17-9)12-8-20(5-6-22-12)14(21)10-3-4-19(2)18-10/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIMVVJABZIQUNRD-UHFFFAOYSA-N
XLogP0.31
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 110271877) is [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is Cc1nc(N)cc(C2CN(C(=O)c3ccn(C)n3)CCO2)n1.
What is the InChIKey of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is IMVVJABZIQUNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-16-11(7-13(15)17-9)12-8-20(5-6-22-12)14(21)10-3-4-19(2)18-10/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16,17).
What are the key properties of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 302.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110271877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).